data_2fva_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 2fva _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' H ' ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.666 0.269 . . . . 1.0 110.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' HG11 ' A' ' 45' ' ' VAL . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 46' ' ' MET . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.432 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.663 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 HG21 HD11 ' A' ' 64' ' ' ILE . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 18' ' ' ALA . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HZ3' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.658 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.556 0.217 . . . . 1.0 110.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 54' ' ' ILE . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 65' ' ' SER . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.658 HE21 ' CB ' ' A' ' 27' ' ' ALA . 36.1 mm-40 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.645 0.26 . . . . 1.0 110.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.686 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.551 ' H ' ' HG1' ' A' ' 66' ' ' THR . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.571 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.571 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.462 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.622 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.462 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.226 -0.179 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.512 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 54' ' ' ILE . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.684 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.616 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.616 ' H ' ' HG1' ' A' ' 66' ' ' THR . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.622 HE21 ' CB ' ' A' ' 27' ' ' ALA . 47.6 mm-40 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 . . . . . 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ALA . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.227 -0.102 0 N-CA-C 110.252 -0.277 . . . . 1.0 110.252 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 44' ' ' ILE . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.429 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.716 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 67' ' ' ILE . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 14.3 mm-40 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.411 HD12 HG21 ' A' ' 6' ' ' ILE . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.745 0.307 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.505 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.1 m120 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.555 ' CG1' ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HZ2' ' CD1' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 64' ' ' ILE . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD1' ' HZ2' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.678 ' HZ2' ' CD1' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.676 0.274 . . . . 1.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.527 ' C ' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.678 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 ' H ' ' HG1' ' A' ' 66' ' ' THR . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' H ' HG21 ' A' ' 66' ' ' THR . 11.3 mm-40 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD21 ' H ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 19' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.541 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.626 0.25 . . . . 1.0 110.791 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.427 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.5 m120 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.605 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 65' ' ' SER . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.653 HE21 ' CB ' ' A' ' 27' ' ' ALA . 63.8 mm-40 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.605 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.486 ' H3 ' ' CG ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' ALA . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HZ3' ' CD1' ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.479 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 5.6 m120 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.531 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 54' ' ' ILE . 6.2 m120 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.582 HE21 ' CB ' ' A' ' 27' ' ' ALA . 37.3 mm-40 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.486 ' CG ' ' H3 ' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 6' ' ' ILE . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HZ1' ' ND2' ' A' ' 47' ' ' ASN . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' H ' ' HG1' ' A' ' 66' ' ' THR . 95.7 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.461 0.172 . . . . 1.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 46' ' ' MET . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 8.9 m120 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.428 ' H ' HG21 ' A' ' 66' ' ' THR . 10.2 mm-40 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.414 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HZ3' ' CD1' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.474 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.546 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.474 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.699 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.693 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.693 ' H ' ' HG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.546 HE21 ' CB ' ' A' ' 27' ' ' ALA . 34.9 mm-40 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 . . . . . 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' ALA . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.227 -0.131 0 CA-C-O 120.482 0.182 . . . . 1.0 110.641 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 44' ' ' ILE . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.443 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.626 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' ' O ' ' A' ' 65' ' ' SER . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 67' ' ' ILE . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.444 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 6.7 mm-40 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.832 0.349 . . . . 1.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.661 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 65' ' ' SER . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 9.5 mm-40 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 10' ' ' SER . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HZ1' ' ND2' ' A' ' 47' ' ' ASN . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.348 -0.241 . . . . 1.0 110.348 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.419 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.559 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 11.8 m120 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.719 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.681 ' H ' ' HG1' ' A' ' 66' ' ' THR . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.617 HE21 ' CB ' ' A' ' 27' ' ' ALA . 39.8 mm-40 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.52 -0.196 0 N-CA-C 110.39 -0.226 . . . . 1.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 44' ' ' ILE . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.416 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.766 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.676 ' H ' ' HG1' ' A' ' 66' ' ' THR . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' THR . 7.6 mm-40 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.536 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 18' ' ' ALA . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.799 0.333 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG23 HD13 ' A' ' 44' ' ' ILE . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.509 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 54' ' ' ILE . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.729 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.1 OUTLIER -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.536 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 ' H ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' CB ' ' NE2' ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.462 0.173 . . . . 1.0 110.602 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 44' ' ' ILE . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.44 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 9.6 m120 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.446 ' H ' HG22 ' A' ' 66' ' ' THR . 8.6 mm-40 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' ' HG1' ' A' ' 66' ' ' THR . 95.4 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.757 0.313 . . . . 1.0 110.798 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 54' ' ' ILE . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.688 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.639 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' THR . 11.8 mm-40 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' CE ' ' OE2' ' A' ' 51' ' ' GLU . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' H ' ' HG1' ' A' ' 66' ' ' THR . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 110.402 -0.221 . . . . 1.0 110.402 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 46' ' ' MET . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.42 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 11.1 m120 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' OE2' ' CE ' ' A' ' 8' ' ' LYS . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 54' ' ' ILE . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.75 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' OD1' ' A' ' 59' ' ' ASP . 2.5 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.531 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 6' ' ' ILE . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.574 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.574 ' N ' ' HG ' ' A' ' 10' ' ' SER . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.434 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.601 0.238 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 HG23 ' A' ' 44' ' ' ILE . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.453 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 54' ' ' ILE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.713 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 64' ' ' ILE . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.592 ' HG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.592 ' N ' ' HG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 mm-40 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' H ' ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -41.21 151.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -57.89 -40.36 80.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -57.68 141.81 47.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -151.91 152.2 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.572 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.51 132.08 48.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' C ' ' H ' ' A' ' 37' ' ' ASP . . . 130.18 99.52 0.86 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 66.49 -43.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 1.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' A' ' 35' ' ' GLY . 99.6 m-20 55.92 33.6 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.623 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -76.41 158.81 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.6 mm? -84.08 132.43 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 94.6 m-20 -137.83 26.15 2.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -60.11 -42.98 95.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' HG11 ' A' ' 45' ' ' VAL . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 46' ' ' MET . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.432 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.663 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 HG21 HD11 ' A' ' 64' ' ' ILE . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -100.63 -40.02 7.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -125.26 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.688 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.576 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 85.3 mttt -152.45 -85.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.146 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.595 179.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 18' ' ' ALA . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HZ3' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.658 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 58.21 117.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 32' ' ' SER . 54.5 p90 -58.86 -44.57 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.389 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.625 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.8 p -62.35 143.22 57.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.379 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -141.03 151.81 44.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.46 131.76 36.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.223 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.0 -165.11 32.09 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 1.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 38' ' ' SER . 68.2 t0 -65.48 135.59 55.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.503 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -154.33 151.26 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt 56.09 -104.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 55.2 29.89 13.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.4 m -61.92 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.426 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.472 ' O ' ' SD ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 54' ' ' ILE . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 65' ' ' SER . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.658 HE21 ' CB ' ' A' ' 27' ' ' ALA . 36.1 mm-40 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.562 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' LYS . 66.7 mt-10 -107.58 -8.24 16.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -31.74 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.341 1.026 . . . . 1.0 110.536 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 79' ' ' GLU . 64.8 tttm -60.65 -43.01 98.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.693 -1.139 . . . . 1.0 110.753 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 79' ' ' GLU . . . . . . . . 0 C--N 1.309 -1.162 0 CA-C-O 118.044 -0.979 . . . . 1.0 111.002 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 31' ' ' PHE . 90.2 mt-10 -41.55 142.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 30' ' ' GLU . 76.2 m-85 -51.53 -170.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.499 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -127.85 131.3 49.49 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.873 0.368 . . . . 1.0 110.501 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -162.91 73.47 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.4 mp -94.87 137.59 33.75 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.222 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 118.29 1.45 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.38 87.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 1.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.29 -44.03 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.727 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -84.14 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -102.63 102.94 13.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.966 0.412 . . . . 1.0 110.204 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -81.0 -22.08 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.47 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.3 m -60.74 -43.11 98.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.472 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.686 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.551 ' H ' ' HG1' ' A' ' 66' ' ' THR . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.571 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.571 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' LYS . 24.4 tt0 -103.73 -23.8 13.4 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HE3' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -38.7 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.985 0 O-C-N 123.341 0.401 . . . . 1.0 110.767 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 79' ' ' GLU . 79.9 tttt -163.24 143.59 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.391 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.834 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.622 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.462 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 57.8 158.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -130.74 80.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.116 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -158.89 162.32 36.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.75 139.42 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.65 137.46 36.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 6.75 84.24 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.72 146.83 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 1.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.68 -41.4 99.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.531 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -152.24 154.24 35.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.99 140.68 45.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.448 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -93.36 7.64 43.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -51.19 -40.9 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.512 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 54' ' ' ILE . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.684 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.616 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.616 ' H ' ' HG1' ' A' ' 66' ' ' THR . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.622 HE21 ' CB ' ' A' ' 27' ' ' ALA . 47.6 mm-40 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.732 ' O ' ' N ' ' A' ' 81' ' ' LYS . 83.8 mt-10 -103.98 -61.88 1.38 Allowed 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 29.02 24.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.671 1.232 . . . . 1.0 111.634 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.732 ' N ' ' O ' ' A' ' 79' ' ' GLU . 58.2 mttm -122.72 100.29 6.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.412 -1.267 . . . . 1.0 110.836 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 117.909 -1.043 . . . . 1.0 110.501 179.261 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.507 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ALA . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 60.24 138.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -61.06 -42.12 97.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.634 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.6 m -59.88 137.19 58.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.554 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HZ2' HD22 ' A' ' 17' ' ' LEU . 52.9 mtmt -151.13 162.78 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -67.83 133.06 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.346 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.37 -125.69 2.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.642 -0.983 . . . . 1.0 110.642 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 140.22 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 1.0 110.607 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 27.8 p-10 -91.32 0.25 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -74.5 131.75 41.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.456 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.84 -42.61 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.403 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' OD2' ' O1 ' ' A' ' 102' ' ' STE . 98.9 m-20 47.43 30.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.41 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m -60.4 -30.3 69.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.252 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 44' ' ' ILE . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.429 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.716 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 67' ' ' ILE . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 14.3 mm-40 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 17.3 pt-20 -63.67 -49.4 73.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -95.89 -45.21 7.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.523 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 65.5 tttm 46.06 81.94 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.465 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.471 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' STE . . . . . 0.411 ' O1 ' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 HG21 HD12 ' A' ' 6' ' ' ILE . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -41.05 155.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -57.36 -41.67 80.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.506 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.9 m -137.67 77.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.19 -43.47 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.76 -42.7 99.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.94 121.03 0.66 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.55 141.14 51.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 13.9 p-10 -85.53 171.67 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.572 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -62.24 -45.83 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 65.2 mt -114.28 123.51 49.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.679 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 26.4 p-10 -177.33 -32.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m -60.98 -43.17 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.512 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.505 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.1 m120 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.555 ' CG1' ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' HZ2' ' CD1' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 64' ' ' ILE . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD1' ' HZ2' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.53 -59.24 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.97 -20.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.499 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 85.8 tttt -172.57 151.52 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.52 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.628 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.457 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' STE . . . . . 0.616 ' C17' ' HZ3' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.678 ' HZ2' ' CD1' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' O ' ' N ' ' A' ' 32' ' ' SER . 96.0 mt-10 58.02 42.98 21.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 50.42 -85.05 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 30' ' ' GLU . 41.1 m -152.65 167.85 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -64.59 145.76 55.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.483 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.71 142.47 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.398 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.74 123.54 1.81 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.92 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.298 . . . . 1.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.87 -47.49 86.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.721 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -160.4 159.34 30.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.35 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -111.91 130.54 55.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -96.35 8.48 43.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.573 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -59.59 -44.05 93.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.377 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.527 ' C ' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.678 ' CD1' ' HZ2' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 ' H ' ' HG1' ' A' ' 66' ' ' THR . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' H ' HG21 ' A' ' 66' ' ' THR . 11.3 mm-40 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.21 -55.99 23.08 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.642 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -59.66 -39.55 84.82 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.806 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.642 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 88.9 tttt -140.19 125.52 18.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.703 -178.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.625 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' H ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 19' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.541 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 60.54 110.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -56.58 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.702 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 t -56.78 129.02 39.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.799 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -147.39 155.02 41.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.617 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 mt 40.83 -132.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.48 -136.09 47.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 143.8 57.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 1.0 110.533 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 42.2 p-10 -82.32 108.02 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' O1 ' ' A' ' 102' ' ' STE . . . -162.84 157.8 21.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.528 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.7 tp -95.69 85.34 4.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -93.09 -1.65 56.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.592 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -62.43 -42.56 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.791 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.427 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.5 m120 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.504 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.605 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 65' ' ' SER . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.653 HE21 ' CB ' ' A' ' 27' ' ' ALA . 63.8 mm-40 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.605 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.8 -58.79 4.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.84 -21.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.471 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 86.9 tttt -172.87 149.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.585 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' STE . . . . . 0.428 ' O1 ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' H3 ' ' CG ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' ALA . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HZ3' ' CD1' ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.479 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 57.27 155.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.09 -44.13 97.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 p -157.88 161.37 38.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.461 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.91 148.04 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.23 138.84 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.4 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.47 -170.75 36.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.93 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 1.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -92.87 114.02 26.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -135.46 147.05 48.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.1 mp -79.67 149.73 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.47 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.85 122.49 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -62.12 -36.29 81.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 5.6 m120 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.531 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 54' ' ' ILE . 6.2 m120 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.582 HE21 ' CB ' ' A' ' 27' ' ' ALA . 37.3 mm-40 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.486 ' CG ' ' H3 ' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' A' ' 81' ' ' LYS . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.77 -55.7 18.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -24.32 4.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.732 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' LEU . 67.4 mttm -97.89 53.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.425 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.608 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 6' ' ' ILE . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HZ1' ' ND2' ' A' ' 47' ' ' ASN . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' H ' ' HG1' ' A' ' 66' ' ' THR . 95.7 mt-10 55.84 80.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -71.51 4.45 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.02 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -99.65 119.41 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 1.0 110.254 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -146.32 150.58 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.658 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -77.45 146.97 36.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.47 160.75 33.46 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.367 . . . . 1.0 110.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.59 112.76 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -89.73 -4.38 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.645 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.72 1.2 39.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.635 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.3 m -61.96 -41.89 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 46' ' ' MET . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.649 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 8.9 m120 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' NZ ' ' C18' ' A' ' 102' ' ' STE . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.428 ' H ' HG21 ' A' ' 66' ' ' THR . 10.2 mm-40 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 -24.24 13.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 174.93 -64.53 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.8 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 76' ' ' GLY . 49.1 pttt 178.79 157.33 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.66 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.512 ' N41' ' O1 ' ' A' ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' STE . . . . . 0.553 ' C18' ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HZ3' ' CD1' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.474 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.546 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.474 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 57.52 155.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -63.09 -36.84 84.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.291 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -152.03 147.88 27.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.512 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.61 -42.83 99.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.767 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -109.08 135.7 49.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' ALA . . . -58.31 -52.13 54.5 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . 38.72 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.674 0.273 . . . . 1.0 110.901 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.98 124.84 21.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 1.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -157.66 171.35 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.473 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.2 mt -95.53 17.47 14.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.489 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.56 -16.31 64.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.1 m -63.99 -30.53 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.614 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.651 ' CD1' ' HZ3' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.699 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.693 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.693 ' H ' ' HG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.546 HE21 ' CB ' ' A' ' 27' ' ' ALA . 34.9 mm-40 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.19 -60.73 2.37 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.751 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.93 -40.28 17.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 1.0 111.234 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 87.0 tttt -109.52 91.17 3.54 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.433 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.486 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.425 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' ALA . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 59.35 130.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -56.74 -48.73 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.633 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 p -175.95 97.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.567 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.31 -46.52 83.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.606 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.66 -43.52 96.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.67 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.55 150.58 49.79 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.92 14.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.832 0.349 . . . . 1.0 110.643 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.31 118.08 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.57 -20.87 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.508 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -41.84 99.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.1 t0 -64.42 -36.31 83.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m -56.95 -29.47 63.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.641 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 44' ' ' ILE . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.443 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.626 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' ' O ' ' A' ' 65' ' ' SER . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 67' ' ' ILE . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 6.7 mm-40 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 81' ' ' LYS . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.61 -62.14 2.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -152.26 -19.64 0.17 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.373 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 60.5 mttp -80.33 98.9 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.08 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 59.3 143.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -70.85 148.55 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.313 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -135.63 147.52 48.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.1 mp -75.85 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.414 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.76 28.8 64.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.881 -0.887 . . . . 1.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.29 158.79 42.85 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 110.587 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.64 176.67 8.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.483 ' N ' ' O25' ' A' ' 101' ' ' PNS . . . -58.03 150.5 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.239 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.93 130.76 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -82.42 105.76 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.617 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m -65.41 -39.9 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.426 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.661 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 65' ' ' SER . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 9.5 mm-40 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.65 -54.96 22.32 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.52 -17.52 14.69 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.386 -0.825 . . . . 1.0 110.745 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 88.3 tttt 38.18 84.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.088 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.524 -179.528 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.483 ' O25' ' N ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 10' ' ' SER . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HZ1' ' ND2' ' A' ' 47' ' ' ASN . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -46.42 102.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -97.51 0.07 46.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 99.1 p -99.62 100.78 11.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.924 0.392 . . . . 1.0 110.355 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -146.57 -173.45 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.395 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' O ' ' S44' ' A' ' 101' ' ' PNS . 4.8 tt -101.51 115.76 31.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.991 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.16 -142.57 1.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.223 -0.751 . . . . 1.0 111.223 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -62.0 -46.27 89.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 97.3 m-20 -141.61 22.5 2.15 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.52 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 66.12 12.77 8.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.502 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -87.82 -4.08 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.367 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -63.53 -36.6 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.383 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.6 m -49.17 -31.62 8.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.348 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.419 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.559 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 11.8 m120 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.719 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.681 ' H ' ' HG1' ' A' ' 66' ' ' THR . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.617 HE21 ' CB ' ' A' ' 27' ' ' ALA . 39.8 mm-40 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 81' ' ' LYS . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -69.33 -58.31 4.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -106.04 -29.27 10.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.772 -177.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . 62.7 mmtt -105.33 148.71 26.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.579 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.426 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.521 ' S44' ' O ' ' A' ' 34' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 32' ' ' SER . 94.3 mt-10 57.96 86.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.481 ' CE1' ' OG ' ' A' ' 32' ' ' SER . 21.5 p90 -48.13 -13.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 30' ' ' GLU . 30.6 p -151.47 151.72 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.337 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.99 -74.99 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.343 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.535 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.53 69.02 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.21 12.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 1.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.47 -40.99 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.628 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -158.54 168.61 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.594 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 41' ' ' THR . 10.7 mp -65.66 -99.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD1' ' OE1' ' A' ' 43' ' ' GLU . 21.2 t70 61.24 -4.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.646 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.565 ' H ' ' C ' ' A' ' 39' ' ' LEU . 17.6 m -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.39 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE1' ' OD1' ' A' ' 40' ' ' ASP . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 44' ' ' ILE . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.416 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.766 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 67' ' ' ILE . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.676 ' H ' ' HG1' ' A' ' 66' ' ' THR . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' THR . 7.6 mm-40 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.498 ' C ' ' HZ2' ' A' ' 80' ' ' LYS . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -74.53 -63.82 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.508 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -72.46 -39.52 67.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.254 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.508 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 87.6 tttt -119.18 113.18 20.49 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.686 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.893 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.501 ' H36' ' H33' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 18' ' ' ALA . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -45.08 124.22 4.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 43.9 p90 -67.89 137.21 55.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.49 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 p 55.31 41.55 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.48 -41.93 99.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.5 mp -61.82 -42.88 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.46 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.12 4.95 64.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.91 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.78 -23.01 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 46.38 61.96 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.56 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.03 139.76 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.81 142.6 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m -63.7 -30.54 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG23 HD13 ' A' ' 44' ' ' ILE . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.509 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 54' ' ' ILE . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.729 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.1 OUTLIER -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.536 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 81' ' ' LYS . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -53.36 -60.41 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -4.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.562 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 77' ' ' LEU . 32.8 mmtt -84.82 126.33 33.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.299 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.593 179.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.447 ' C31' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 ' H ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' CB ' ' NE2' ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.58 125.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 32' ' ' SER . 33.1 p90 -57.88 -35.02 70.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.625 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.595 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 32.7 m -63.59 145.1 56.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.171 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -111.05 144.05 40.79 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.8 mm? -88.28 134.11 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.499 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.809 -0.917 . . . . 1.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.21 140.59 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.281 . . . . 1.0 110.561 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.84 -47.89 83.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.559 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -162.28 161.31 27.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 tp -117.54 132.18 56.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -85.58 88.7 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.726 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.8 m -63.28 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.602 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 44' ' ' ILE . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.44 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 9.6 m120 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.446 ' H ' HG22 ' A' ' 66' ' ' THR . 8.6 mm-40 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.75 -60.36 3.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -70.17 -34.98 73.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.546 -1.206 . . . . 1.0 110.66 -178.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' A' ' 52' ' ' PHE . 88.6 tttt -62.48 -37.13 84.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.983 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.972 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' ' HG1' ' A' ' 66' ' ' THR . 95.4 mt-10 57.02 50.25 12.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' GLU . 25.3 m-85 42.35 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 1.0 109.987 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -47.48 -41.19 20.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.527 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.67 133.17 50.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 1.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.498 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASP . . . 79.37 -2.53 71.2 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 39.22 -89.37 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.796 0.331 . . . . 1.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.609 ' CG ' ' H ' ' A' ' 38' ' ' SER . 40.5 t0 -130.18 -164.54 1.43 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.232 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.609 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -64.36 -11.37 31.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.754 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mm? -63.18 -38.32 90.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.5 -23.1 26.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.609 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.3 m -62.81 -41.56 99.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 39' ' ' LEU . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 54' ' ' ILE . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.688 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.505 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.639 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' THR . 11.8 mm-40 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.87 -61.41 2.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -47.47 85.77 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.22 -0.9 . . . . 1.0 109.925 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.5 -29.11 70.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.08 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.242 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.2 -179.688 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' CE ' ' OE2' ' A' ' 51' ' ' GLU . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' H ' ' HG1' ' A' ' 66' ' ' THR . 93.2 mt-10 59.4 142.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -68.4 138.54 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.16 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.7 t -113.1 118.76 35.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.07 133.65 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.23 -41.83 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.44 -43.21 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.51 142.93 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.101 -0.239 . . . . 1.0 110.368 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 38' ' ' SER . 53.9 t0 -108.63 150.24 27.8 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.272 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.544 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . 66.91 -45.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 37' ' ' ASP . 86.2 mt -62.25 -41.25 98.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.646 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.5 -42.52 98.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.535 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -58.72 -41.49 86.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.402 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 46' ' ' MET . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.42 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 11.1 m120 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' OE2' ' CE ' ' A' ' 8' ' ' LYS . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 54' ' ' ILE . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.75 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' OD1' ' A' ' 59' ' ' ASP . 2.5 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.531 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -63.44 -57.06 11.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ALA . 52.5 tttp -175.5 159.11 2.36 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.335 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.715 -1.136 . . . . 1.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 6' ' ' ILE . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.574 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.574 ' N ' ' HG ' ' A' ' 10' ' ' SER . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.434 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 56.94 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.64 139.28 38.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -83.02 165.0 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.28 128.24 47.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.493 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -92.14 130.93 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.1 -171.05 0.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.693 -0.963 . . . . 1.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.69 -8.91 58.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.698 0.285 . . . . 1.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -81.46 110.08 16.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.549 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -88.06 -3.6 58.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.19 34.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.604 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.39 -6.2 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -49.73 -40.25 40.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.585 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 HG23 ' A' ' 44' ' ' ILE . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.453 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 54' ' ' ILE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.713 ' H ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 64' ' ' ILE . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.592 ' HG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.592 ' N ' ' HG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 27' ' ' ALA . 9.4 mm-40 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.8 -57.48 4.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -97.66 5.06 49.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.007 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 52' ' ' PHE . 71.6 tttt -39.97 -28.02 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.985 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--N 1.312 -1.062 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.638 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.736 ' N ' HD23 ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.523 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 25' ' ' VAL . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.563 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.666 0.269 . . . . 1.0 110.516 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 41' ' ' THR . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CE2' HD13 ' A' ' 74' ' ' ILE . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.585 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.6 HD13 ' CE2' ' A' ' 52' ' ' PHE . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' HD13 ' A' ' 12' ' ' ILE . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.662 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.623 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.556 0.217 . . . . 1.0 110.426 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' NZ ' ' A' ' 16' ' ' LYS . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 77' ' ' LEU . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.601 ' O ' HD11 ' A' ' 64' ' ' ILE . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 60' ' ' LYS . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 68' ' ' GLN . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.609 ' H ' HG23 ' A' ' 66' ' ' THR . 6.4 mm100 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 64' ' ' ILE . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 56' ' ' VAL . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG1' HG23 ' A' ' 67' ' ' ILE . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HD2' HG22 ' A' ' 25' ' ' VAL . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 17' ' ' LEU . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' HD2' ' A' ' 14' ' ' LYS . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.3 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.645 0.26 . . . . 1.0 110.472 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.519 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 74' ' ' ILE . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG22 HD13 ' A' ' 77' ' ' LEU . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' CG1' ' A' ' 9' ' ' VAL . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.601 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.601 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 52' ' ' PHE . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 56' ' ' VAL . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.54 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.492 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HZ1' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.592 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.9 m . . . . . 0 C--O 1.226 -0.179 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE ' ' A' ' 16' ' ' LYS . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 41' ' ' THR . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.58 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 74' ' ' ILE . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' VAL . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 60' ' ' LYS . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 68' ' ' GLN . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.492 HD13 ' OG ' ' A' ' 10' ' ' SER . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.668 ' H ' HG23 ' A' ' 66' ' ' THR . 8.9 mm100 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 52' ' ' PHE . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.54 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 . . . . . 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 67' ' ' ILE . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 25' ' ' VAL . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG22 ' HD2' ' A' ' 14' ' ' LYS . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m . . . . . 0 C--O 1.227 -0.102 0 N-CA-C 110.252 -0.277 . . . . 1.0 110.252 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 23.4 p-10 -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 64' ' ' ILE . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG23 ' CG1' ' A' ' 9' ' ' VAL . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 17' ' ' LEU . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.5 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.745 0.307 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 26.1 m-80 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 74' ' ' ILE . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.96 HG22 ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HZ1' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 60' ' ' LYS . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 66' ' ' THR . 11.1 mm100 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 52' ' ' PHE . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 ' CE ' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.649 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.75 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.682 HD12 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 17' ' ' LEU . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.2 m . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.676 0.274 . . . . 1.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.75 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.649 HD13 ' OG ' ' A' ' 10' ' ' SER . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 66' ' ' THR . 14.7 mm100 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 52' ' ' PHE . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.598 ' OG ' HD13 ' A' ' 67' ' ' ILE . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 17' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.6 m . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.626 0.25 . . . . 1.0 110.791 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.566 ' N ' HG13 ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 29.4 m-80 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 74' ' ' ILE . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 57' ' ' ASP . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 56' ' ' VAL . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 68' ' ' GLN . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.598 HD13 ' OG ' ' A' ' 10' ' ' SER . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 66' ' ' THR . 13.4 mm100 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 73' ' ' VAL . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 69' ' ' GLN . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' PHE . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' THR . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CD ' HG22 ' A' ' 25' ' ' VAL . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' NZ ' HD11 ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.814 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG22 ' CD ' ' A' ' 14' ' ' LYS . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.573 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 7.4 m-80 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 64' ' ' ILE . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 52' ' ' PHE . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.739 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG23 ' HZ3' ' A' ' 16' ' ' LYS . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HZ3' HG23 ' A' ' 12' ' ' ILE . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' CD1' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 18' ' ' ALA . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 25' ' ' VAL . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.581 ' O ' HG12 ' A' ' 45' ' ' VAL . 28.3 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.461 0.172 . . . . 1.0 110.667 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 41' ' ' THR . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.518 ' CG ' ' NZ ' ' A' ' 16' ' ' LYS . 25.6 m-80 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 45' ' ' VAL . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.568 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 60' ' ' LYS . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.739 HD13 ' OG ' ' A' ' 10' ' ' SER . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' H ' HG23 ' A' ' 66' ' ' THR . 14.4 mm100 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.0 mm-40 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' GLN . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.542 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 17' ' ' LEU . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HZ3' ' A' ' 14' ' ' LYS . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 45' ' ' VAL . 87.1 m . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.725 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.483 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 45' ' ' VAL . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 64' ' ' ILE . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.529 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 52' ' ' PHE . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 . . . . . 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.541 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' THR . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.588 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ALA . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 30' ' ' GLU . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.468 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m . . . . . 0 C--O 1.227 -0.131 0 CA-C-O 120.482 0.182 . . . . 1.0 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.555 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 74' ' ' ILE . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 77' ' ' LEU . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.678 ' H ' HG23 ' A' ' 66' ' ' THR . 12.9 mm100 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 69' ' ' GLN . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' PHE . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CB ' HD12 ' A' ' 54' ' ' ILE . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' ILE . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.826 ' N ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.832 0.349 . . . . 1.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 42' ' ' VAL . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.52 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.615 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 9' ' ' VAL . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.754 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.557 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG23 ' HZ3' ' A' ' 16' ' ' LYS . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CD ' HG22 ' A' ' 25' ' ' VAL . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HZ3' HG23 ' A' ' 12' ' ' ILE . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.897 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 17' ' ' LEU . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.493 HG22 ' CD ' ' A' ' 14' ' ' LYS . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 21.6 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.348 -0.241 . . . . 1.0 110.348 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 37.1 m-80 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 45' ' ' VAL . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.677 ' O ' HD11 ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' THR . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.557 HD13 ' OG ' ' A' ' 10' ' ' SER . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 66' ' ' THR . 9.3 mm100 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 HD12 ' A' ' 64' ' ' ILE . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HB2' HD23 ' A' ' 17' ' ' LEU . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 17' ' ' LEU . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.446 ' O ' HG12 ' A' ' 45' ' ' VAL . 17.6 m . . . . . 0 CA--C 1.52 -0.196 0 N-CA-C 110.39 -0.226 . . . . 1.0 110.39 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.554 ' N ' HG13 ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' CB ' ' A' ' 77' ' ' LEU . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HG23 ' A' ' 45' ' ' VAL . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.551 ' O ' ' O ' ' A' ' 65' ' ' SER . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 13.0 mm100 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.576 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HB2' HD23 ' A' ' 17' ' ' LEU . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.551 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.799 0.333 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 77' ' ' LEU . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' O ' HD11 ' A' ' 64' ' ' ILE . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 60' ' ' LYS . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' VAL . 80.2 mm-40 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' GLN . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.655 HD13 ' CE2' ' A' ' 52' ' ' PHE . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 27' ' ' ALA . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' SER . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.726 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 17' ' ' LEU . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB1' ' OE1' ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.8 m . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.462 0.173 . . . . 1.0 110.602 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 32.0 m-80 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 54' ' ' ILE . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 52' ' ' PHE . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.603 HD11 ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 14.5 mm100 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' GLU . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.82 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD22 HD12 ' A' ' 17' ' ' LEU . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.3 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.757 0.313 . . . . 1.0 110.798 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 42' ' ' VAL . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 41' ' ' THR . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 64' ' ' ILE . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 27' ' ' ALA . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HD2' ' A' ' 14' ' ' LYS . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.591 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.8 m . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 110.402 -0.221 . . . . 1.0 110.402 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 41' ' ' THR . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 35.5 m-80 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' OE1' HD11 ' A' ' 12' ' ' ILE . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 77' ' ' LEU . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.559 ' O ' HD22 ' A' ' 77' ' ' LEU . 25.4 p-10 -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD1' ' NE2' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.536 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 25.0 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 66' ' ' THR . 11.0 mm100 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 55' ' ' ASN . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' A' ' 67' ' ' ILE . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.693 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.421 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.2 m . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.601 0.238 . . . . 1.0 110.585 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' HZ2' ' A' ' 16' ' ' LYS . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HB3' HG23 ' A' ' 54' ' ' ILE . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 20.7 p-10 -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.539 ' N ' ' OG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD12 ' A' ' 64' ' ' ILE . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 78' ' ' LEU . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 74' ' ' ILE . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.523 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -41.21 151.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -57.89 -40.36 80.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -57.68 141.81 47.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -151.91 152.2 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.572 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.51 132.08 48.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 37' ' ' ASP . . . 130.18 99.52 0.86 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLY . . . 66.49 -43.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 1.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' GLY . 99.6 m-20 55.92 33.6 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.623 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -76.41 158.81 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.6 mm? -84.08 132.43 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 94.6 m-20 -137.83 26.15 2.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.563 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.6 m -60.11 -42.98 95.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.516 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 41' ' ' THR . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CE2' HD13 ' A' ' 74' ' ' ILE . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.585 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.6 HD13 ' CE2' ' A' ' 52' ' ' PHE . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -100.63 -40.02 7.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -125.26 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.688 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 85.3 mttt -152.45 -85.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.146 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.595 179.868 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' HD13 ' A' ' 12' ' ' ILE . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.623 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 58.21 117.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 32' ' ' SER . 54.5 p90 -58.86 -44.57 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.389 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.625 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.8 p -62.35 143.22 57.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.379 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -141.03 151.81 44.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.46 131.76 36.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.223 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.0 -165.11 32.09 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 1.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 38' ' ' SER . 68.2 t0 -65.48 135.59 55.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.503 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -154.33 151.26 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt 56.09 -104.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 55.2 29.89 13.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.4 m -61.92 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.426 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' NZ ' ' A' ' 16' ' ' LYS . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 77' ' ' LEU . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.601 ' O ' HD11 ' A' ' 64' ' ' ILE . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 60' ' ' LYS . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 68' ' ' GLN . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.609 ' H ' HG23 ' A' ' 66' ' ' THR . 6.4 mm100 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 64' ' ' ILE . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 56' ' ' VAL . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.562 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' LYS . 66.7 mt-10 -107.58 -8.24 16.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -31.74 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.341 1.026 . . . . 1.0 110.536 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 79' ' ' GLU . 64.8 tttm -60.65 -43.01 98.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.693 -1.139 . . . . 1.0 110.753 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 79' ' ' GLU . . . . . . . . 0 C--N 1.309 -1.162 0 CA-C-O 118.044 -0.979 . . . . 1.0 111.002 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG1' HG23 ' A' ' 67' ' ' ILE . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HD2' HG22 ' A' ' 25' ' ' VAL . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 17' ' ' LEU . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' HD2' ' A' ' 14' ' ' LYS . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 31' ' ' PHE . 90.2 mt-10 -41.55 142.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 30' ' ' GLU . 76.2 m-85 -51.53 -170.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.499 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -127.85 131.3 49.49 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.873 0.368 . . . . 1.0 110.501 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -162.91 73.47 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.4 mp -94.87 137.59 33.75 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.222 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 118.29 1.45 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.38 87.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 1.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.29 -44.03 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.727 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -84.14 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -102.63 102.94 13.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.966 0.412 . . . . 1.0 110.204 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -81.0 -22.08 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.47 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.3 m -60.74 -43.11 98.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.472 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.519 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD13 H183 ' A' ' 102' ' ' STE . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 74' ' ' ILE . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG22 HD13 ' A' ' 77' ' ' LEU . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' CG1' ' A' ' 9' ' ' VAL . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.601 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.601 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 52' ' ' PHE . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 56' ' ' VAL . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' LYS . 24.4 tt0 -103.73 -23.8 13.4 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.562 ' HZ2' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -38.7 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.985 0 O-C-N 123.341 0.401 . . . . 1.0 110.767 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 79' ' ' GLU . 79.9 tttt -163.24 143.59 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.391 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.834 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.583 H183 HD13 ' A' ' 48' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.492 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HZ1' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 57.8 158.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -130.74 80.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.116 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -158.89 162.32 36.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.75 139.42 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.65 137.46 36.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 6.75 84.24 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.72 146.83 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 1.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.68 -41.4 99.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.531 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -152.24 154.24 35.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.99 140.68 45.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.448 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -93.36 7.64 43.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.592 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.9 m -51.19 -40.9 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE ' ' A' ' 16' ' ' LYS . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 41' ' ' THR . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.58 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 74' ' ' ILE . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' VAL . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 60' ' ' LYS . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 68' ' ' GLN . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.492 HD13 ' OG ' ' A' ' 10' ' ' SER . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.668 ' H ' HG23 ' A' ' 66' ' ' THR . 8.9 mm100 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 52' ' ' PHE . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.54 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.732 ' O ' ' N ' ' A' ' 81' ' ' LYS . 83.8 mt-10 -103.98 -61.88 1.38 Allowed 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 29.02 24.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.671 1.232 . . . . 1.0 111.634 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.732 ' N ' ' O ' ' A' ' 79' ' ' GLU . 58.2 mttm -122.72 100.29 6.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.412 -1.267 . . . . 1.0 110.836 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 117.909 -1.043 . . . . 1.0 110.501 179.261 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.507 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.472 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 67' ' ' ILE . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 25' ' ' VAL . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG22 ' HD2' ' A' ' 14' ' ' LYS . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 60.24 138.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -61.06 -42.12 97.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.634 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.6 m -59.88 137.19 58.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.554 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -151.13 162.78 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -67.83 133.06 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.346 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.37 -125.69 2.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.642 -0.983 . . . . 1.0 110.642 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 140.22 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 1.0 110.607 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 27.8 p-10 -91.32 0.25 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -74.5 131.75 41.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.456 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.84 -42.61 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.403 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' OD2' ' O1 ' ' A' ' 102' ' ' STE . 98.9 m-20 47.43 30.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.41 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m -60.4 -30.3 69.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.252 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 23.4 p-10 -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 64' ' ' ILE . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG23 ' CG1' ' A' ' 9' ' ' VAL . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 17.3 pt-20 -63.67 -49.4 73.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.686 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -95.89 -45.21 7.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.523 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.607 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 65.5 tttm 46.06 81.94 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.465 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.471 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.411 ' O1 ' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 17' ' ' LEU . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -41.05 155.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -57.36 -41.67 80.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.506 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.9 m -137.67 77.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.19 -43.47 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 34' ' ' LEU . 93.9 mt -62.76 -42.7 99.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.94 121.03 0.66 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.55 141.14 51.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 13.9 p-10 -85.53 171.67 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.572 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -62.24 -45.83 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 65.2 mt -114.28 123.51 49.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.679 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 26.4 p-10 -177.33 -32.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.5 m -60.98 -43.17 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.512 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 26.1 m-80 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 74' ' ' ILE . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.96 HG22 ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HZ1' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 60' ' ' LYS . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 66' ' ' THR . 11.1 mm100 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 52' ' ' PHE . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 ' CE ' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.53 -59.24 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.97 -20.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.499 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 85.8 tttt -172.57 151.52 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.52 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.628 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.467 ' N36' H302 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.484 H181 ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.649 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.75 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.682 HD12 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 17' ' ' LEU . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' O ' ' N ' ' A' ' 32' ' ' SER . 96.0 mt-10 58.02 42.98 21.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 50.42 -85.05 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 30' ' ' GLU . 41.1 m -152.65 167.85 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -64.59 145.76 55.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.483 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.71 142.47 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.398 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.74 123.54 1.81 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.92 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.298 . . . . 1.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.87 -47.49 86.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.721 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -160.4 159.34 30.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.35 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -111.91 130.54 55.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -96.35 8.48 43.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.573 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.2 m -59.59 -44.05 93.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.377 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.75 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.649 HD13 ' OG ' ' A' ' 10' ' ' SER . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 66' ' ' THR . 14.7 mm100 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 52' ' ' PHE . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.21 -55.99 23.08 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.646 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -59.66 -39.55 84.82 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.806 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.646 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 88.9 tttt -140.19 125.52 18.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.703 -178.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.625 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.598 ' OG ' HD13 ' A' ' 67' ' ' ILE . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 17' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 60.54 110.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -56.58 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.702 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 t -56.78 129.02 39.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.799 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -147.39 155.02 41.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.617 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 mt 40.83 -132.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.48 -136.09 47.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 143.8 57.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 1.0 110.533 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 42.2 p-10 -82.32 108.02 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' O1 ' ' A' ' 102' ' ' STE . . . -162.84 157.8 21.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.528 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.7 tp -95.69 85.34 4.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -93.09 -1.65 56.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.592 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.6 m -62.43 -42.56 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.566 ' N ' HG13 ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 29.4 m-80 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 74' ' ' ILE . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 57' ' ' ASP . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 56' ' ' VAL . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 68' ' ' GLN . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.598 HD13 ' OG ' ' A' ' 10' ' ' SER . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 66' ' ' THR . 13.4 mm100 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 73' ' ' VAL . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 69' ' ' GLN . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' PHE . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.8 -58.79 4.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.84 -21.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.471 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 86.9 tttt -172.87 149.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.585 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.428 ' O1 ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' THR . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CD ' HG22 ' A' ' 25' ' ' VAL . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.802 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.814 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG22 ' CD ' ' A' ' 14' ' ' LYS . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 57.27 155.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.09 -44.13 97.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 p -157.88 161.37 38.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.461 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.91 148.04 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.23 138.84 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.4 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.47 -170.75 36.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.93 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 1.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -92.87 114.02 26.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -135.46 147.05 48.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.1 mp -79.67 149.73 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.47 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.85 122.49 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -62.12 -36.29 81.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.802 HD11 ' HZ2' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.573 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 7.4 m-80 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 64' ' ' ILE . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.543 ' CG1' H182 ' A' ' 102' ' ' STE . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' A' ' 81' ' ' LYS . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.77 -55.7 18.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -24.32 4.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.732 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' LEU . 67.4 mttm -97.89 53.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.425 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.608 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.543 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.739 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG23 ' HZ3' ' A' ' 16' ' ' LYS . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HZ3' HG23 ' A' ' 12' ' ' ILE . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' CD1' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 18' ' ' ALA . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 25' ' ' VAL . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 55.84 80.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -71.51 4.45 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.02 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -99.65 119.41 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 1.0 110.254 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -146.32 150.58 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.658 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -77.45 146.97 36.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.47 160.75 33.46 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.367 . . . . 1.0 110.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.59 112.76 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -89.73 -4.38 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.645 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.72 1.2 39.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.635 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.581 ' O ' HG12 ' A' ' 45' ' ' VAL . 28.3 m -61.96 -41.89 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.667 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 41' ' ' THR . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.518 ' CG ' ' NZ ' ' A' ' 16' ' ' LYS . 25.6 m-80 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 45' ' ' VAL . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.747 ' NZ ' H183 ' A' ' 102' ' ' STE . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 60' ' ' LYS . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.739 HD13 ' OG ' ' A' ' 10' ' ' SER . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' H ' HG23 ' A' ' 66' ' ' THR . 14.4 mm100 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.0 mm-40 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' GLN . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.524 HD11 H181 ' A' ' 102' ' ' STE . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 -24.24 13.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 174.93 -64.53 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.8 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 76' ' ' GLY . 49.1 pttt 178.79 157.33 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.66 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.512 ' N41' ' O1 ' ' A' ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.747 H183 ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.542 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 17' ' ' LEU . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HZ3' ' A' ' 14' ' ' LYS . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 57.52 155.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -63.09 -36.84 84.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.291 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -152.03 147.88 27.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.512 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.61 -42.83 99.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.767 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -109.08 135.7 49.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' ALA . . . -58.31 -52.13 54.5 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . 38.72 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.674 0.273 . . . . 1.0 110.901 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.98 124.84 21.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 1.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -157.66 171.35 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.473 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' ' 42' ' ' VAL . 46.2 mt -95.53 17.47 14.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.489 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.56 -16.31 64.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 45' ' ' VAL . 87.1 m -63.99 -30.53 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.614 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.725 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.483 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' LYS . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 45' ' ' VAL . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 64' ' ' ILE . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.529 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG11 H181 ' A' ' 102' ' ' STE . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 52' ' ' PHE . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.19 -60.73 2.37 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.851 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.93 -40.28 17.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 1.0 111.234 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 87.0 tttt -109.52 91.17 3.54 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.433 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.486 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.425 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.55 H181 HG11 ' A' ' 73' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.541 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' THR . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.588 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ALA . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 30' ' ' GLU . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 59.35 130.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -56.74 -48.73 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.633 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 p -175.95 97.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.567 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.31 -46.52 83.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.606 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.66 -43.52 96.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.67 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.55 150.58 49.79 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.92 14.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.832 0.349 . . . . 1.0 110.643 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.31 118.08 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.57 -20.87 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.508 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -41.84 99.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.1 t0 -64.42 -36.31 83.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.468 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m -56.95 -29.47 63.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.641 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.555 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 74' ' ' ILE . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 77' ' ' LEU . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.678 ' H ' HG23 ' A' ' 66' ' ' THR . 12.9 mm100 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 69' ' ' GLN . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' PHE . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 81' ' ' LYS . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.61 -62.14 2.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -152.26 -19.64 0.17 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.373 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' LEU . 60.5 mttp -80.33 98.9 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.08 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' ILE . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 59.3 143.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -70.85 148.55 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.313 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -135.63 147.52 48.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.1 mp -75.85 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.414 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.76 28.8 64.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.881 -0.887 . . . . 1.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.29 158.79 42.85 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 110.587 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.64 176.67 8.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.483 ' N ' ' O25' ' A' ' 101' ' ' PNS . . . -58.03 150.5 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.239 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.93 130.76 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -82.42 105.76 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.617 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m -65.41 -39.9 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.426 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 42' ' ' VAL . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.52 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.615 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 9' ' ' VAL . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.754 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.512 HD23 ' HZ1' ' A' ' 80' ' ' LYS . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.65 -54.96 22.32 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -104.52 -17.52 14.69 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.386 -0.825 . . . . 1.0 110.745 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 88.3 tttt 38.18 84.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.088 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.524 -179.528 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.483 ' O25' ' N ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.557 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG23 ' HZ3' ' A' ' 16' ' ' LYS . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CD ' HG22 ' A' ' 25' ' ' VAL . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HZ3' HG23 ' A' ' 12' ' ' ILE . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.897 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 17' ' ' LEU . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG22 ' CD ' ' A' ' 14' ' ' LYS . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -46.42 102.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -97.51 0.07 46.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 99.1 p -99.62 100.78 11.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.924 0.392 . . . . 1.0 110.355 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' H ' ' H82' ' A' ' 102' ' ' STE . 62.5 mttp -146.57 -173.45 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.395 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 34' ' ' LEU . 4.8 tt -101.51 115.76 31.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.991 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' HD23 ' A' ' 34' ' ' LEU . . . -77.16 -142.57 1.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.223 -0.751 . . . . 1.0 111.223 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -62.0 -46.27 89.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 97.3 m-20 -141.61 22.5 2.15 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.52 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 66.12 12.77 8.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.502 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -87.82 -4.08 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.367 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -63.53 -36.6 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.383 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 21.6 m -49.17 -31.62 8.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.348 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.554 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 37.1 m-80 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 45' ' ' VAL . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.677 ' O ' HD11 ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' THR . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.557 HD13 ' OG ' ' A' ' 10' ' ' SER . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 66' ' ' THR . 9.3 mm100 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 HD12 ' A' ' 64' ' ' ILE . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 81' ' ' LYS . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -69.33 -58.31 4.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -106.04 -29.27 10.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.772 -177.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 62.7 mmtt -105.33 148.71 26.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.579 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.426 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.521 ' S44' ' O ' ' A' ' 34' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.529 H122 HG23 ' A' ' 41' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HB2' HD23 ' A' ' 17' ' ' LEU . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 17' ' ' LEU . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 94.3 mt-10 57.96 86.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 21.5 p90 -48.13 -13.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 31' ' ' PHE . 30.6 p -151.47 151.72 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.337 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.99 -74.99 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.343 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.535 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.53 69.02 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.21 12.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 1.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.47 -40.99 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.628 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -158.54 168.61 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.594 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' THR . 10.7 mp -65.66 -99.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD1' ' OE1' ' A' ' 43' ' ' GLU . 21.2 t70 61.24 -4.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.646 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' LEU . 17.6 m -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.39 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE1' ' OD1' ' A' ' 40' ' ' ASP . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' N ' HG13 ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' CB ' ' A' ' 77' ' ' LEU . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HG23 ' A' ' 45' ' ' VAL . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.551 ' O ' ' O ' ' A' ' 65' ' ' SER . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 13.0 mm100 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.531 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -74.53 -63.82 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -72.46 -39.52 67.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.254 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 87.6 tttt -119.18 113.18 20.49 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.686 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.893 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.402 ' O35' H311 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.576 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HB2' HD23 ' A' ' 17' ' ' LEU . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.551 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -45.08 124.22 4.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 43.9 p90 -67.89 137.21 55.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.49 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 p 55.31 41.55 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.48 -41.93 99.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.5 mp -61.82 -42.88 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.46 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.12 4.95 64.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.91 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.78 -23.01 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 46.38 61.96 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.56 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.03 139.76 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.81 142.6 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m -63.7 -30.54 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 77' ' ' LEU . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' O ' HD11 ' A' ' 64' ' ' ILE . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 60' ' ' LYS . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' VAL . 80.2 mm-40 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' GLN . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.655 HD13 ' CE2' ' A' ' 52' ' ' PHE . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -53.36 -60.41 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -4.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.562 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 77' ' ' LEU . 32.8 mmtt -84.82 126.33 33.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.299 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.593 179.603 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.546 H311 ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 27' ' ' ALA . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' SER . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.726 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 17' ' ' LEU . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB1' ' OE1' ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.58 125.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 32' ' ' SER . 33.1 p90 -57.88 -35.02 70.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.625 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.595 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 32.7 m -63.59 145.1 56.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.171 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -111.05 144.05 40.79 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -88.28 134.11 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.499 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.809 -0.917 . . . . 1.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.21 140.59 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.281 . . . . 1.0 110.561 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.84 -47.89 83.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.559 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -162.28 161.31 27.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 tp -117.54 132.18 56.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -85.58 88.7 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.726 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.8 m -63.28 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 32.0 m-80 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.612 ' C ' ' HZ2' ' A' ' 81' ' ' LYS . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 52' ' ' PHE . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.603 HD11 ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 14.5 mm100 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.75 -60.36 3.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -70.17 -34.98 73.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.546 -1.206 . . . . 1.0 110.66 -178.386 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.612 ' HZ2' ' C ' ' A' ' 53' ' ' GLY . 88.6 tttt -62.48 -37.13 84.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.983 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.972 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' GLU . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.82 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD22 HD12 ' A' ' 17' ' ' LEU . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 31' ' ' PHE . 95.4 mt-10 57.02 50.25 12.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' GLU . 25.3 m-85 42.35 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 1.0 109.987 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -47.48 -41.19 20.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.527 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.67 133.17 50.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 1.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.498 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASP . . . 79.37 -2.53 71.2 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 39.22 -89.37 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.796 0.331 . . . . 1.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 38' ' ' SER . 40.5 t0 -130.18 -164.54 1.43 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.232 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.588 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -64.36 -11.37 31.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.754 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 39' ' ' LEU . 4.2 mm? -63.18 -38.32 90.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.5 -23.1 26.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.609 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.3 m -62.81 -41.56 99.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.798 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 39' ' ' LEU . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 41' ' ' THR . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 66' ' ' THR . 14.9 mm100 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 64' ' ' ILE . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' CG1' H182 ' A' ' 102' ' ' STE . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.87 -61.41 2.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -47.47 85.77 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.22 -0.9 . . . . 1.0 109.925 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.5 -29.11 70.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.08 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.242 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.2 -179.688 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.499 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 27' ' ' ALA . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HD2' ' A' ' 14' ' ' LYS . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 59.4 142.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -68.4 138.54 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.16 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.7 t -113.1 118.76 35.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.07 133.65 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.23 -41.83 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.44 -43.21 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.51 142.93 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.101 -0.239 . . . . 1.0 110.368 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 38' ' ' SER . 53.9 t0 -108.63 150.24 27.8 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.272 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.544 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . 66.91 -45.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 37' ' ' ASP . 86.2 mt -62.25 -41.25 98.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.646 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.5 -42.52 98.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.535 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.591 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.8 m -58.72 -41.49 86.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.587 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 41' ' ' THR . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 35.5 m-80 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' OE1' HD11 ' A' ' 12' ' ' ILE . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 77' ' ' LEU . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.559 ' O ' HD22 ' A' ' 77' ' ' LEU . 25.4 p-10 -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD1' ' NE2' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.536 ' NE2' ' OD1' ' A' ' 59' ' ' ASP . 25.0 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 66' ' ' THR . 11.0 mm100 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 55' ' ' ASN . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -63.44 -57.06 11.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ALA . 52.5 tttp -175.5 159.11 2.36 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.335 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.715 -1.136 . . . . 1.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' A' ' 67' ' ' ILE . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.693 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 56.94 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.64 139.28 38.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -83.02 165.0 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.28 128.24 47.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.493 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -92.14 130.93 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.1 -171.05 0.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.693 -0.963 . . . . 1.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.69 -8.91 58.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.698 0.285 . . . . 1.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -81.46 110.08 16.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.549 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -88.06 -3.6 58.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.19 34.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.604 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.39 -6.2 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.421 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.2 m -49.73 -40.25 40.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.585 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' HZ2' ' A' ' 16' ' ' LYS . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HB3' HG23 ' A' ' 54' ' ' ILE . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 20.7 p-10 -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.539 ' N ' ' OG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD12 ' A' ' 64' ' ' ILE . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 78' ' ' LEU . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 74' ' ' ILE . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.8 -57.48 4.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -97.66 5.06 49.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.007 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 54' ' ' ILE . 71.6 tttt -39.97 -28.02 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.985 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--N 1.312 -1.062 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.638 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' STE . . . . . 0.402 H181 HG13 ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.523 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB1' ' NE2' ' A' ' 68' ' ' GLN . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.563 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.666 0.269 . . . . 1.0 110.516 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 41' ' ' THR . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CE2' HD13 ' A' ' 74' ' ' ILE . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.747 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.585 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.52 ' NE2' ' HB1' ' A' ' 27' ' ' ALA . 9.7 mm-40 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.6 HD13 ' CE2' ' A' ' 52' ' ' PHE . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' HD13 ' A' ' 12' ' ' ILE . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.662 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.623 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.703 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.556 0.217 . . . . 1.0 110.426 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' NZ ' ' A' ' 16' ' ' LYS . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 77' ' ' LEU . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.601 ' O ' HD11 ' A' ' 64' ' ' ILE . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 60' ' ' LYS . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 68' ' ' GLN . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.703 HE21 ' CB ' ' A' ' 27' ' ' ALA . 36.1 mm-40 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' A' ' 65' ' ' SER . 28.0 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 64' ' ' ILE . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 56' ' ' VAL . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG1' HG23 ' A' ' 67' ' ' ILE . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HD2' HG22 ' A' ' 25' ' ' VAL . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 17' ' ' LEU . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' HD2' ' A' ' 14' ' ' LYS . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.3 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.645 0.26 . . . . 1.0 110.472 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.519 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 74' ' ' ILE . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.787 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG22 HD13 ' A' ' 77' ' ' LEU . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' CG1' ' A' ' 9' ' ' VAL . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.58 HE21 ' HB1' ' A' ' 27' ' ' ALA . 12.5 mm-40 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.601 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.601 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 52' ' ' PHE . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 56' ' ' VAL . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.54 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.492 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HZ1' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.663 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.592 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.9 m . . . . . 0 C--O 1.226 -0.179 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE ' ' A' ' 16' ' ' LYS . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 41' ' ' THR . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.58 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 74' ' ' ILE . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.781 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' VAL . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 60' ' ' LYS . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 68' ' ' GLN . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.492 HD13 ' OG ' ' A' ' 10' ' ' SER . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.668 ' H ' HG23 ' A' ' 66' ' ' THR . 47.6 mm-40 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 52' ' ' PHE . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.54 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 . . . . . 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 67' ' ' ILE . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 25' ' ' VAL . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG22 ' HD2' ' A' ' 14' ' ' LYS . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m . . . . . 0 C--O 1.227 -0.102 0 N-CA-C 110.252 -0.277 . . . . 1.0 110.252 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.782 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 64' ' ' ILE . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG23 ' CG1' ' A' ' 9' ' ' VAL . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.476 HE21 ' HB1' ' A' ' 27' ' ' ALA . 14.3 mm-40 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 17' ' ' LEU . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.608 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.5 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.745 0.307 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.1 m120 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 74' ' ' ILE . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.96 HG22 ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HZ1' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 60' ' ' LYS . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.608 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.1 mm-40 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 52' ' ' PHE . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 ' CE ' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.649 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.75 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.682 HD12 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 17' ' ' LEU . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HB1' ' NE2' ' A' ' 68' ' ' GLN . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.2 m . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.676 0.274 . . . . 1.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.75 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.649 HD13 ' OG ' ' A' ' 10' ' ' SER . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.444 ' NE2' ' HB1' ' A' ' 27' ' ' ALA . 11.3 mm-40 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 52' ' ' PHE . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.598 ' OG ' HD13 ' A' ' 67' ' ' ILE . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 17' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.696 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.6 m . . . . . 0 C--O 1.225 -0.19 0 CA-C-O 120.626 0.25 . . . . 1.0 110.791 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.566 ' N ' HG13 ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.5 m120 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 74' ' ' ILE . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 57' ' ' ASP . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 56' ' ' VAL . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 68' ' ' GLN . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.598 HD13 ' OG ' ' A' ' 10' ' ' SER . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.696 HE21 ' CB ' ' A' ' 27' ' ' ALA . 63.8 mm-40 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 73' ' ' VAL . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 69' ' ' GLN . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' PHE . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' THR . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CD ' HG22 ' A' ' 25' ' ' VAL . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' NZ ' HD11 ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.814 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG22 ' CD ' ' A' ' 14' ' ' LYS . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.625 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.573 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 5.6 m120 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.531 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 54' ' ' ILE . 6.2 m120 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 64' ' ' ILE . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.625 HE21 ' CB ' ' A' ' 27' ' ' ALA . 37.3 mm-40 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 65' ' ' SER . 38.3 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 52' ' ' PHE . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.739 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.636 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' CD1' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 18' ' ' ALA . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 25' ' ' VAL . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.475 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.581 ' O ' HG12 ' A' ' 45' ' ' VAL . 28.3 m . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 120.461 0.172 . . . . 1.0 110.667 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 41' ' ' THR . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.636 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 8.9 m120 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 45' ' ' VAL . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.568 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 60' ' ' LYS . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.739 HD13 ' OG ' ' A' ' 10' ' ' SER . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' H ' HG23 ' A' ' 66' ' ' THR . 10.2 mm-40 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.8 mm100 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' GLN . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.542 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 17' ' ' LEU . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HZ3' ' A' ' 14' ' ' LYS . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 45' ' ' VAL . 87.1 m . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.725 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.483 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.751 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 45' ' ' VAL . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 64' ' ' ILE . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.529 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.59 HE21 ' CB ' ' A' ' 27' ' ' ALA . 34.9 mm-40 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 52' ' ' PHE . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 . . . . . 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.541 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' THR . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.588 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ALA . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 30' ' ' GLU . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.468 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m . . . . . 0 C--O 1.227 -0.131 0 CA-C-O 120.482 0.182 . . . . 1.0 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.555 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 74' ' ' ILE . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 77' ' ' LEU . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.739 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.678 ' H ' HG23 ' A' ' 66' ' ' THR . 6.7 mm-40 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 69' ' ' GLN . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' PHE . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CB ' HD12 ' A' ' 54' ' ' ILE . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' ILE . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.517 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.832 0.349 . . . . 1.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 42' ' ' VAL . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.52 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.752 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.615 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 9' ' ' VAL . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.754 ' H ' HG23 ' A' ' 66' ' ' THR . 9.5 mm-40 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.557 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CD ' HG22 ' A' ' 25' ' ' VAL . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.897 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 17' ' ' LEU . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.493 HG22 ' CD ' ' A' ' 14' ' ' LYS . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.661 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 21.6 m . . . . . 0 CA--C 1.519 -0.228 0 N-CA-C 110.348 -0.241 . . . . 1.0 110.348 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 11.8 m120 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.793 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 45' ' ' VAL . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.677 ' O ' HD11 ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' THR . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.557 HD13 ' OG ' ' A' ' 10' ' ' SER . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.661 HE21 ' CB ' ' A' ' 27' ' ' ALA . 39.8 mm-40 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 HD12 ' A' ' 64' ' ' ILE . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HB2' HD23 ' A' ' 17' ' ' LEU . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 17' ' ' LEU . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.446 ' O ' HG12 ' A' ' 45' ' ' VAL . 17.6 m . . . . . 0 CA--C 1.52 -0.196 0 N-CA-C 110.39 -0.226 . . . . 1.0 110.39 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.554 ' N ' HG13 ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' CB ' ' A' ' 77' ' ' LEU . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.845 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HG23 ' A' ' 45' ' ' VAL . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.551 ' O ' ' O ' ' A' ' 65' ' ' SER . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.558 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.6 mm-40 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.576 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HB2' HD23 ' A' ' 17' ' ' LEU . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.551 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.799 0.333 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 77' ' ' LEU . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.786 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' O ' HD11 ' A' ' 64' ' ' ILE . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 60' ' ' LYS . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.532 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.8 mm-40 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' VAL . 18.4 mm100 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' GLN . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.655 HD13 ' CE2' ' A' ' 52' ' ' PHE . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 27' ' ' ALA . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' SER . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.726 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 17' ' ' LEU . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.8 m . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 120.462 0.173 . . . . 1.0 110.602 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 9.6 m120 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 54' ' ' ILE . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 52' ' ' PHE . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.603 HD11 ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.606 HE21 ' HB1' ' A' ' 27' ' ' ALA . 8.6 mm-40 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' GLU . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 HE22 ' A' ' 68' ' ' GLN . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.82 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD22 HD12 ' A' ' 17' ' ' LEU . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.3 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.757 0.313 . . . . 1.0 110.798 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 42' ' ' VAL . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 41' ' ' THR . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.765 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.459 HE22 HD13 ' A' ' 6' ' ' ILE . 11.8 mm-40 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 64' ' ' ILE . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 27' ' ' ALA . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HD2' ' A' ' 14' ' ' LYS . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.581 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.591 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.8 m . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 110.402 -0.221 . . . . 1.0 110.402 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 41' ' ' THR . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 11.1 m120 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' OE1' HD11 ' A' ' 12' ' ' ILE . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 77' ' ' LEU . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.855 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' OD1' ' A' ' 59' ' ' ASP . 2.5 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 66' ' ' THR . 5.1 mm-40 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 55' ' ' ASN . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' A' ' 67' ' ' ILE . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.693 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.421 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.2 m . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.601 0.238 . . . . 1.0 110.585 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' HZ2' ' A' ' 16' ' ' LYS . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HB3' HG23 ' A' ' 54' ' ' ILE . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.808 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.539 ' N ' ' OG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.5 HE21 ' HB1' ' A' ' 27' ' ' ALA . 9.4 mm-40 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD12 ' A' ' 64' ' ' ILE . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 78' ' ' LEU . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 74' ' ' ILE . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 70.9 mmtt -76.01 149.74 37.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.93 -38.59 89.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.726 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -57.79 -46.79 84.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.641 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.492 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.08 -41.67 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.554 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.5 mt -61.2 -44.35 98.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.539 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.25 -36.36 81.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.162 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -67.67 -46.95 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.992 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 93.8 t -60.54 -47.32 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.47 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -64.09 -32.39 73.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.392 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -64.41 -36.83 85.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.69 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.0 -44.94 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.03 -44.94 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.823 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -62.05 -38.77 90.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.967 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.58 -19.62 58.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.911 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -62.82 -41.32 99.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.378 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.2 pt? -126.32 22.08 7.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.642 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.523 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 55.96 83.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.791 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.2 mp -129.63 -168.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.58 3.22 62.87 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.48 -71.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 1.0 110.476 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -115.41 21.64 13.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.484 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -113.28 132.67 61.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.721 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.7 p -75.32 137.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -109.28 132.98 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 1.0 110.541 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.5 p -134.0 158.5 43.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.667 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB1' ' NE2' ' A' ' 68' ' ' GLN . . . -88.53 -31.03 18.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.9 -2.15 38.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -82.71 97.29 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.466 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -41.21 151.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -57.89 -40.36 80.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -57.68 141.81 47.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.628 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -151.91 152.2 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.572 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -64.51 132.08 48.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 37' ' ' ASP . . . 130.18 99.52 0.86 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.874 -0.89 . . . . 1.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLY . . . 66.49 -43.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 1.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' GLY . 99.6 m-20 55.92 33.6 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.623 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -76.41 158.81 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.6 mm? -84.08 132.43 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' LEU . 94.6 m-20 -137.83 26.15 2.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.563 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.6 m -60.11 -42.98 95.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.516 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.05 -43.65 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.362 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.55 -41.23 60.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.209 0.528 . . . . 1.0 111.287 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.73 -45.76 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.72 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 41' ' ' THR . 12.9 p -60.8 -43.85 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.876 -178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 45' ' ' VAL . 80.1 mmm -63.67 -38.36 90.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.704 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -46.66 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.425 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.41 -47.03 74.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.261 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -69.33 -43.95 72.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.36 -59.16 3.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CE2' HD13 ' A' ' 74' ' ' ILE . 49.1 m-85 -63.22 -35.71 81.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.13 22.1 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.12 -162.11 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 120.945 0.402 . . . . 1.0 110.685 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.747 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.82 89.11 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.349 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.8 p -99.5 127.14 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.887 0.375 . . . . 1.0 110.568 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.3 158.58 24.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.61 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.519 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.76 -21.63 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.556 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.9 tptt -92.12 -28.02 17.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 1.0 110.565 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.45 44.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -117.97 -34.83 4.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.959 0.409 . . . . 1.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -136.0 52.09 2.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.817 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.585 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.4 mm -88.83 131.64 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.63 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.28 -169.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.915 0.388 . . . . 1.0 110.319 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.7 t -48.76 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.668 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.3 mt -59.64 -41.73 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.516 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.52 ' NE2' ' HB1' ' A' ' 27' ' ' ALA . 9.7 mm-40 -45.59 -50.48 13.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.882 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -66.68 -41.72 87.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.757 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.25 77.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.745 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.24 99.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.753 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.81 -43.51 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.796 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.82 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.6 HD13 ' CE2' ' A' ' 52' ' ' PHE . 46.5 mt -62.24 -43.14 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.1 mt-10 -49.93 -40.02 42.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.45 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.79 -41.89 72.16 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.34 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 1.0 110.491 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -61.79 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.396 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -100.63 -40.02 7.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.962 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -125.26 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.688 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.576 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 85.3 mttt -152.45 -85.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.146 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.595 179.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.124 -0.695 . . . . 1.0 109.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.0 mttt -85.27 151.06 24.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.425 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -61.69 -37.51 84.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 5' ' ' THR . 11.6 pt-20 -58.93 -47.34 85.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.917 0.389 . . . . 1.0 110.863 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.6 m -69.04 -41.05 78.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.602 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 27' ' ' ALA . 85.0 mt -61.22 -44.61 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -62.33 -39.66 93.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 1.0 110.185 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' O ' HD13 ' A' ' 12' ' ' ILE . 19.0 mmmt -65.83 -47.42 75.07 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.0 -47.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.477 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.778 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -62.45 -42.49 99.5 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.709 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.2 mp -56.26 -34.8 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 120.519 -0.472 . . . . 1.0 110.038 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.9 -40.66 53.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 120.787 0.327 . . . . 1.0 110.572 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 30.5 mttp -64.6 -47.13 79.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 1.0 112.032 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.01 -22.3 5.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.151 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.623 ' HB2' HD23 ' A' ' 17' ' ' LEU . 37.7 mmtt -63.49 -40.62 97.55 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.4 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -115.17 -3.25 12.57 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.184 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 79.13 76.9 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.82 0.343 . . . . 1.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.2 mp -129.49 -170.3 2.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.941 0.4 . . . . 1.0 110.713 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' HD3' ' A' ' 14' ' ' LYS . . . 99.6 -0.37 56.74 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 -72.45 0.55 Allowed 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.256 -0.276 . . . . 1.0 110.256 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 33.1 p-10 -97.97 6.13 48.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.849 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.28 132.21 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 1.0 110.381 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.32 133.41 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.538 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 6.2 t -93.51 128.07 45.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.952 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -136.37 178.11 7.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.102 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.703 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -91.99 -14.22 29.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.765 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -113.64 16.19 18.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.911 0.386 . . . . 1.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 30' ' ' GLU . 38.5 t -72.0 -10.26 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.337 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 68.4 mt-10 58.21 117.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.51 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 32' ' ' SER . 54.5 p90 -58.86 -44.57 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.389 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.625 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.8 p -62.35 143.22 57.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.379 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -141.03 151.81 44.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.46 131.76 36.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.223 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.0 -165.11 32.09 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 1.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 38' ' ' SER . 68.2 t0 -65.48 135.59 55.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.503 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . -154.33 151.26 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt 56.09 -104.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 55.2 29.89 13.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.4 m -61.92 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.426 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.83 -37.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.21 -48.75 26.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.996 0.427 . . . . 1.0 111.256 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' NZ ' ' A' ' 16' ' ' LYS . 31.4 mm -64.78 -45.44 95.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.742 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 9.2 p -60.5 -38.72 78.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.292 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.11 -40.98 95.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.39 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.539 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.8 m120 -61.9 -43.95 97.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.18 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.37 -42.14 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.473 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -67.65 -38.22 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -67.11 -51.64 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.097 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 51' ' ' GLU . 14.0 tm-20 -59.01 -56.02 27.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.852 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 50.5 m-85 -77.86 -8.49 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.851 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 50.37 45.52 45.13 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.6 pt -106.38 -166.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 110.276 -0.268 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -124.69 96.4 4.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.041 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 77' ' ' LEU . 2.8 t -102.51 128.12 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.034 0.445 . . . . 1.0 110.378 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.59 141.96 31.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.413 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.15 -19.84 15.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.563 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.04 -22.78 24.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.082 0.467 . . . . 1.0 110.796 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.601 ' O ' HD11 ' A' ' 64' ' ' ILE . 49.9 tptt -77.94 -41.68 35.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.665 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.09 28.55 1.58 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.07 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.55 -71.16 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.412 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -125.05 74.62 1.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.139 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 60' ' ' LYS . 48.7 mm -89.56 133.44 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.727 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.76 -170.19 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.931 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 68' ' ' GLN . 3.7 t -43.75 -173.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.762 0.791 . . . . 1.0 111.401 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.96 -43.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.756 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.703 HE21 ' CB ' ' A' ' 27' ' ' ALA . 36.1 mm-40 -41.4 -55.66 2.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.643 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' A' ' 65' ' ' SER . 28.0 tt0 -67.75 -41.52 83.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.468 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.477 ' HA ' HG21 ' A' ' 64' ' ' ILE . . . -56.86 -45.64 82.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.483 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -64.7 -38.68 91.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.723 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.57 -43.9 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.326 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.96 -42.81 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.602 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.5 mt-10 -51.06 -41.53 59.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.725 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.39 -25.3 74.67 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG22 ' A' ' 56' ' ' VAL . 36.0 mt -88.63 -0.83 57.66 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 121.389 -0.125 . . . . 1.0 110.893 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.562 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 17.7 mt -97.3 -7.4 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.456 0.473 . . . . 1.0 110.998 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' LYS . 66.7 mt-10 -107.58 -8.24 16.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -31.74 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.341 1.026 . . . . 1.0 110.536 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 79' ' ' GLU . 64.8 tttm -60.65 -43.01 98.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.693 -1.139 . . . . 1.0 110.753 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 79' ' ' GLU . . . . . . . . 0 C--N 1.309 -1.162 0 CA-C-O 118.044 -0.979 . . . . 1.0 111.002 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 65.8 mttp -75.85 148.82 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.409 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.09 -39.82 91.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.957 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 5' ' ' THR . 13.8 pt-20 -56.65 -48.2 78.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.691 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.1 m -66.9 -42.96 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.559 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 90.4 mt -60.0 -43.45 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.507 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -63.87 -36.22 83.2 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.969 -0.382 . . . . 1.0 109.969 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.3 -45.07 81.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.645 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 ' CG1' HG23 ' A' ' 67' ' ' ILE . 92.8 t -60.44 -46.11 95.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.134 0.493 . . . . 1.0 110.316 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -61.21 -37.09 81.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.192 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -61.05 -40.11 92.38 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 120.74 0.305 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.24 -46.56 77.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -60.47 -44.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.313 0.383 . . . . 1.0 110.427 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HD2' HG22 ' A' ' 25' ' ' VAL . 6.3 mttp -65.05 -39.02 92.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -57.81 -20.94 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.488 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.515 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.22 21.97 8.7 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 109.797 -0.446 . . . . 1.0 109.797 -179.16 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 52.88 82.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.659 -0.417 . . . . 1.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.861 HD13 HD13 ' A' ' 17' ' ' LEU . 4.1 mp -129.8 -173.34 3.0 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.039 0.447 . . . . 1.0 110.41 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -14.0 61.52 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.78 -68.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.975 -0.29 . . . . 1.0 110.368 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -96.25 6.21 49.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.72 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.86 131.68 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 120.95 0.405 . . . . 1.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 24' ' ' VAL . 11.8 p -71.38 130.37 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.334 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' HD2' ' A' ' 14' ' ' LYS . 10.9 t -88.8 130.4 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.357 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -137.88 155.52 48.87 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.478 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.58 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -90.51 -21.06 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 1.0 110.218 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -82.21 -0.9 47.31 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.108 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -80.76 94.07 6.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.298 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 31' ' ' PHE . 90.2 mt-10 -41.55 142.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.245 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 30' ' ' GLU . 76.2 m-85 -51.53 -170.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.499 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -127.85 131.3 49.49 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.873 0.368 . . . . 1.0 110.501 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -162.91 73.47 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.4 mp -94.87 137.59 33.75 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.222 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.36 118.29 1.45 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.732 -0.947 . . . . 1.0 110.732 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.38 87.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 1.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.29 -44.03 97.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.727 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -84.14 120.76 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -102.63 102.94 13.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.966 0.412 . . . . 1.0 110.204 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -81.0 -22.08 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.47 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.3 m -60.74 -43.11 98.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.472 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.83 -43.03 98.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.397 0.618 . . . . 1.0 110.397 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -73.2 -44.66 59.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.824 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.29 -47.23 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.556 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.53 -42.74 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.65 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.519 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.5 tpt -58.95 -39.93 83.16 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -63.19 -47.58 81.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.629 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD13 H183 ' A' ' 102' ' ' STE . 18.1 mt -64.62 -45.22 87.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.481 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -62.63 -34.66 77.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -77.93 -50.44 12.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.32 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -57.36 -55.52 33.7 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.645 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 74' ' ' ILE . 51.0 m-85 -68.3 -35.86 78.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.7 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.8 43.45 7.71 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.637 -0.985 . . . . 1.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.27 -163.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.569 0.224 . . . . 1.0 110.494 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.787 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.62 90.19 2.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.873 0.368 . . . . 1.0 110.091 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG22 HD13 ' A' ' 77' ' ' LEU . 89.2 t -86.29 131.77 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -90.55 154.01 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.287 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.67 -34.81 77.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.95 -21.02 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.537 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.8 tptt -86.33 -31.74 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.816 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.51 51.56 0.75 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.379 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -117.93 -38.02 3.31 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.811 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -136.27 50.8 2.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.1 mm -89.26 129.84 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.785 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -57.35 -171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.939 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.2 t -50.08 -171.05 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.528 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' CG1' ' A' ' 9' ' ' VAL . 96.5 mt -60.29 -42.62 91.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.076 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.58 HE21 ' HB1' ' A' ' 27' ' ' ALA . 12.5 mm-40 -42.94 -53.3 4.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.261 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.601 HE22 ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -67.65 -42.4 82.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.32 . . . . 1.0 111.479 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.62 -40.09 71.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.703 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.43 -47.67 83.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.85 -39.78 95.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.947 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.601 ' CG2' HE22 ' A' ' 69' ' ' GLN . 75.6 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 52' ' ' PHE . 29.6 mt -63.55 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.278 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.9 mt-10 -47.54 -44.8 26.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.619 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.12 -36.55 93.38 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.586 -1.005 . . . . 1.0 110.586 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD13 HG22 ' A' ' 56' ' ' VAL . 84.1 mt -72.52 -13.3 61.38 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.604 0.24 . . . . 1.0 110.422 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.83 -8.11 35.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' LYS . 24.4 tt0 -103.73 -23.8 13.4 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.562 ' HZ2' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -38.7 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.985 0 O-C-N 123.341 0.401 . . . . 1.0 110.767 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 79' ' ' GLU . 79.9 tttt -163.24 143.59 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.391 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 CA-C-O 118.019 -0.991 . . . . 1.0 110.834 179.751 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.583 H183 HD13 ' A' ' 48' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.5 mttm -78.06 150.72 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.408 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.777 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.3 pt-20 -56.84 -46.72 81.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -68.15 -42.55 79.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.787 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.75 -43.92 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.702 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -62.51 -37.75 87.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.065 0.46 . . . . 1.0 110.081 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -66.53 -46.61 75.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.588 -0.733 . . . . 1.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.55 -46.24 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.492 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.7 m -60.27 -43.08 96.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.955 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -54.46 -45.67 73.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.954 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.56 -45.36 35.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.707 -0.479 . . . . 1.0 109.707 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.63 -48.27 85.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 C-N-CA 120.009 -0.676 . . . . 1.0 110.974 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -65.75 -41.06 92.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 1.0 111.014 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -54.44 -38.01 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.056 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HZ1' ' CG ' ' A' ' 47' ' ' ASN . 29.1 mttp -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 17' ' ' LEU . 5.5 mp -90.88 -2.66 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.318 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.74 28.93 4.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.326 0.584 . . . . 1.0 110.133 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -90.03 -166.68 1.65 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.465 -0.788 . . . . 1.0 110.482 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.94 -1.84 63.55 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.8 -70.27 0.58 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.819 0.342 . . . . 1.0 110.483 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.92 27.51 9.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.7 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.38 133.5 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.91 0.386 . . . . 1.0 110.15 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.46 148.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.424 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 p -124.15 131.87 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.4 p -134.85 160.0 39.6 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.663 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -81.09 -4.12 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.478 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -119.26 17.89 13.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.191 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLU . 3.2 m -70.0 -15.5 63.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.204 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 88.4 mt-10 57.8 158.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.529 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.606 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -130.74 80.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.116 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -158.89 162.32 36.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.75 139.42 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.65 137.46 36.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 6.75 84.24 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.77 -0.932 . . . . 1.0 110.77 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.72 146.83 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 1.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.68 -41.4 99.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.531 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -152.24 154.24 35.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.99 140.68 45.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.448 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -93.36 7.64 43.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.592 ' O ' HG12 ' A' ' 45' ' ' VAL . 22.9 m -51.19 -40.9 59.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.306 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.73 -43.27 97.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.114 0.483 . . . . 1.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.26 -41.26 57.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.8 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE ' ' A' ' 16' ' ' LYS . 7.7 mm -65.17 -44.68 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.694 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 41' ' ' THR . 8.7 p -61.2 -41.62 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.011 0.434 . . . . 1.0 110.445 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.38 -39.66 94.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.706 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.58 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 6.7 m120 -61.0 -44.76 96.95 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.86 -45.54 64.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.121 0.486 . . . . 1.0 110.382 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.63 -41.12 98.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.777 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -70.96 -44.55 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.88 -58.65 6.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.836 0.35 . . . . 1.0 110.553 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.676 ' CE2' HD13 ' A' ' 74' ' ' ILE . 52.7 m-85 -65.62 -35.25 80.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.59 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.08 35.88 14.31 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.691 -0.964 . . . . 1.0 110.691 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 pt -108.75 -158.63 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.748 0.308 . . . . 1.0 110.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.781 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.92 108.57 7.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 1.0 110.108 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' VAL . 59.8 t -105.21 128.85 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.238 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -91.39 155.11 18.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.41 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.19 -36.34 75.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.6 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -69.29 -22.43 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.521 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.4 tptt -88.09 -29.65 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.398 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.29 48.22 0.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.641 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -117.32 -38.23 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.742 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -135.69 55.68 1.86 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.938 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.595 HD11 ' O ' ' A' ' 60' ' ' LYS . 41.9 mm -88.59 128.12 41.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.134 0.493 . . . . 1.0 110.627 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.554 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -67.04 -173.0 0.22 Allowed 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.494 -0.775 . . . . 1.0 109.25 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 68' ' ' GLN . 1.3 t -46.32 -172.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.168 0.508 . . . . 1.0 111.803 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.492 HD13 ' OG ' ' A' ' 10' ' ' SER . 83.6 mt -58.8 -44.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.461 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.668 ' H ' HG23 ' A' ' 66' ' ' THR . 47.6 mm-40 -43.55 -35.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.358 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -81.7 -46.29 14.5 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.911 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.11 83.81 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.161 -0.616 . . . . 1.0 110.82 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.14 87.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.613 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.0 t0 -63.88 -41.53 97.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.737 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -62.07 -44.3 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' CE2' ' A' ' 52' ' ' PHE . 55.6 mt -61.89 -43.72 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.71 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.54 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.2 mt-10 -48.8 -32.38 8.59 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.63 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.63 -24.24 58.83 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.66 -12.68 44.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.872 0.368 . . . . 1.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 mt -85.37 -6.99 59.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.662 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.732 ' O ' ' N ' ' A' ' 81' ' ' LYS . 83.8 mt-10 -103.98 -61.88 1.38 Allowed 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 110.25 -0.278 . . . . 1.0 110.25 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 29.02 24.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.671 1.232 . . . . 1.0 111.634 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.732 ' N ' ' O ' ' A' ' 79' ' ' GLU . 58.2 mttm -122.72 100.29 6.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.412 -1.267 . . . . 1.0 110.836 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 117.909 -1.043 . . . . 1.0 110.501 179.261 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.507 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.472 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -76.45 147.96 37.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.075 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -60.37 -40.18 89.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.655 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.5 pt-20 -58.94 -45.34 90.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.248 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.3 m -66.87 -43.58 83.15 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 92.1 mt -59.92 -44.4 94.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.01 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.88 -38.32 90.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 1.0 110.086 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -63.35 -45.26 92.06 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.037 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 67' ' ' ILE . 90.2 t -60.57 -47.49 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.173 -0.611 . . . . 1.0 109.755 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -60.47 -42.39 96.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.888 -0.597 . . . . 1.0 109.841 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -56.03 -46.28 78.9 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.046 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.41 -45.55 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.42 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -63.07 -43.66 99.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.021 -0.272 . . . . 1.0 110.979 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 25' ' ' VAL . 7.6 mttp -64.24 -42.01 96.72 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.916 0.388 . . . . 1.0 111.247 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.08 -29.39 12.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.83 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.1 mmtt -64.66 -47.62 77.79 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -92.36 -3.5 55.24 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.06 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.97 38.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.187 0.518 . . . . 1.0 110.099 -178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mp -93.67 -171.9 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.275 -0.875 . . . . 1.0 110.562 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.24 -3.08 82.02 Favored Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.706 -0.958 . . . . 1.0 110.706 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 -77.79 0.38 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.35 . . . . 1.0 110.26 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -98.99 12.36 36.19 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.96 135.52 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.0 0.428 . . . . 1.0 110.542 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.19 131.63 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.077 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG22 ' HD2' ' A' ' 14' ' ' LYS . 17.1 t -95.2 128.02 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.939 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -139.57 145.56 38.76 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.118 0.485 . . . . 1.0 110.239 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -75.04 -42.69 56.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -71.9 11.09 0.58 Allowed 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.96 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' ALA . 7.0 t -72.36 -8.53 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.549 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' SER . 85.6 mt-10 60.24 138.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 1.0 110.092 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -61.06 -42.12 97.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.634 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.6 m -59.88 137.19 58.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.554 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -151.13 162.78 40.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.0 mt -67.83 133.06 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.346 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.37 -125.69 2.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.642 -0.983 . . . . 1.0 110.642 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.46 140.22 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 1.0 110.607 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 27.8 p-10 -91.32 0.25 57.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -74.5 131.75 41.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.456 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.84 -42.61 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.403 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' OD2' ' O1 ' ' A' ' 102' ' ' STE . 98.9 m-20 47.43 30.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.41 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m -60.4 -30.3 69.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.252 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.89 -40.47 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.532 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 44.0 tt0 -71.62 -47.64 53.23 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.776 -0.37 . . . . 1.0 111.055 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mm -65.21 -45.0 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.18 0.437 . . . . 1.0 112.18 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 46' ' ' MET . 13.2 p -60.88 -42.72 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.018 0.437 . . . . 1.0 110.657 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 67.9 mmm -64.36 -38.49 91.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.528 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 6.8 m120 -61.22 -38.89 88.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 1.0 110.074 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.74 -45.75 50.13 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.952 0.406 . . . . 1.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.94 -41.31 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.829 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 51' ' ' GLU . 10.8 pt-20 -70.07 -44.65 68.69 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.874 -0.33 . . . . 1.0 110.66 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 50' ' ' GLU . 44.9 tp10 -61.09 -58.7 7.28 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.796 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.5 m-85 -68.42 -34.67 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 1.0 110.244 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.66 29.71 28.79 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.7 -0.96 . . . . 1.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 pt -97.96 -162.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.779 0.323 . . . . 1.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.782 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.27 83.32 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.899 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.4 p -93.08 126.95 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 47.9 t0 -82.8 158.83 22.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.778 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 80.3 mm-40 -61.33 -26.15 67.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.404 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -71.03 -25.44 62.66 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.111 0.482 . . . . 1.0 110.32 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' HD11 ' A' ' 64' ' ' ILE . 5.6 mmtt -92.49 -11.62 34.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.17 42.97 3.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.701 0.286 . . . . 1.0 110.353 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -117.92 -34.94 4.01 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -136.57 49.85 2.06 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.205 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.8 mm -88.22 130.55 37.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 1.0 110.575 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.522 ' O ' ' O ' ' A' ' 66' ' ' THR . 4.1 m -62.41 -169.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.843 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.4 t -46.97 -173.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.281 0.563 . . . . 1.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG23 ' CG1' ' A' ' 9' ' ' VAL . 97.7 mt -61.11 -42.29 92.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.52 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.476 HE21 ' HB1' ' A' ' 27' ' ' ALA . 14.3 mm-40 -41.6 -54.38 3.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.2 -38.89 86.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 1.0 111.232 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.16 76.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.511 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.64 98.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.122 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.91 -41.44 97.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.31 -44.84 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 52' ' ' PHE . 10.9 mt -63.0 -43.97 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.336 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.34 -38.11 62.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.707 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.97 -20.33 73.42 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.4 -9.99 48.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.81 0.338 . . . . 1.0 110.371 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.99 -11.55 32.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.95 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 17.3 pt-20 -63.67 -49.4 73.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.236 0.541 . . . . 1.0 110.313 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.686 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -95.89 -45.21 7.05 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.523 179.196 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.607 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 65.5 tttm 46.06 81.94 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.483 -0.78 . . . . 1.0 110.465 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.471 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.411 ' O1 ' ' OD2' ' A' ' 40' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.0 mttm -83.95 149.76 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -60.34 -40.51 90.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.771 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.3 pt-20 -58.4 -46.37 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.829 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -67.87 -40.58 83.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.102 0.477 . . . . 1.0 110.417 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -61.82 -45.14 99.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.378 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -63.4 -35.05 79.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.153 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -68.09 -47.93 66.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.839 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.96 -48.47 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.69 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 5.1 t -61.83 -43.25 99.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -48.01 -44.57 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.484 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.25 -48.41 76.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.525 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 t -63.38 -42.24 95.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.243 0.544 . . . . 1.0 110.354 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.3 mtpp -64.59 -32.62 74.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.012 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -74.09 -20.91 60.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.255 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 1.8 mptp? -61.12 -36.0 78.56 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -111.98 -1.2 15.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.188 -0.46 . . . . 1.0 109.866 -179.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 81.06 52.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 1.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 17' ' ' LEU . 9.2 mp -113.0 -167.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.241 0.543 . . . . 1.0 110.212 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 2.77 59.33 Favored Glycine 0 C--N 1.334 0.452 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.22 -79.67 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 1.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -102.31 0.94 35.01 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.938 0.399 . . . . 1.0 110.645 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.31 133.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.419 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.87 156.01 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.5 p -111.64 129.41 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 1.0 110.239 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -130.43 153.46 48.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.555 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.608 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -88.63 -34.51 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.835 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 p30 -75.62 -4.76 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.671 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -79.88 98.56 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.384 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -41.05 155.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -57.36 -41.67 80.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.506 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.9 m -137.67 77.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.19 -43.47 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 34' ' ' LEU . 93.9 mt -62.76 -42.7 99.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.48 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.94 121.03 0.66 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.55 141.14 51.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 13.9 p-10 -85.53 171.67 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.572 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -62.24 -45.83 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' OD2' ' A' ' 37' ' ' ASP . 65.2 mt -114.28 123.51 49.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.679 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 26.4 p-10 -177.33 -32.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.5 m -60.98 -43.17 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.512 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.42 -43.07 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.623 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -74.8 -44.2 50.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.13 -47.04 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.575 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 46' ' ' MET . 5.8 p -62.5 -43.8 98.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.178 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.5 tpt -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.443 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.1 m120 -62.2 -47.67 83.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 mt -65.59 -46.18 80.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 54' ' ' ILE . 68.1 tt0 -63.87 -36.42 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.453 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -71.64 -42.75 67.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.19 -56.15 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.874 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 74' ' ' ILE . 54.5 m-85 -68.41 -27.09 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.944 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.65 45.07 29.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.171 -1.172 . . . . 1.0 110.171 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 3.9 pt -118.02 -163.24 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 122.526 -0.397 . . . . 1.0 111.003 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -125.66 126.52 44.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.115 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.96 HG22 ' HZ1' ' A' ' 60' ' ' LYS . 84.2 t -129.39 134.73 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -108.97 153.79 23.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.436 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -56.58 -32.27 65.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -62.55 -33.05 74.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.62 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HZ1' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -93.27 -23.48 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.992 0.425 . . . . 1.0 110.783 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.13 47.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.645 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -118.45 -27.64 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 1.0 110.53 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -148.48 61.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.768 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' O ' ' A' ' 60' ' ' LYS . 43.7 mm -89.61 129.17 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.469 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -59.32 -169.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.398 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.6 t -50.49 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.546 ' N ' ' OG1' ' A' ' 66' ' ' THR . 87.9 mt -61.1 -23.49 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.885 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.608 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.1 mm-40 -59.74 -53.03 62.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.081 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -68.34 -39.81 81.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.769 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.0 97.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 65.5 t0 -64.79 -40.52 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.828 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.34 -43.65 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.665 HD13 ' CE2' ' A' ' 52' ' ' PHE . 59.4 mt -61.78 -42.91 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.889 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.601 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 87.0 mt-10 -48.03 -45.7 32.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.678 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -64.4 -41.64 97.99 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 ' CE ' ' A' ' 60' ' ' LYS . 78.8 mt -63.22 -40.09 96.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 1.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.55 -36.9 79.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.499 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.53 -59.24 3.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.454 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.97 -20.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.499 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 85.8 tttt -172.57 151.52 2.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.52 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.628 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.467 ' N36' H302 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.484 H181 ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.5 mttt -77.95 150.73 33.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.27 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -61.91 -38.78 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.68 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.7 pt-20 -57.6 -45.87 84.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.38 . . . . 1.0 110.651 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.1 m -69.17 -42.97 75.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.493 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.93 -43.52 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.765 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -63.07 -36.7 84.44 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -65.76 -45.57 82.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.828 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.49 -47.45 92.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.39 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.649 ' OG ' HD13 ' A' ' 67' ' ' ILE . 15.8 m -63.25 -39.1 93.64 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.625 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -54.47 -41.86 69.99 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.633 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -55.23 -45.27 77.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.731 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.16 -47.32 90.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.255 -0.578 . . . . 1.0 110.476 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -65.09 -40.6 94.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.964 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -64.75 -32.02 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.617 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.75 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 44.6 mttt -60.04 -39.31 85.48 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.043 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.682 HD12 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -103.72 -0.82 28.92 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.015 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 74.87 55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.631 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD22 HD12 ' A' ' 17' ' ' LEU . 8.9 mp -116.03 -165.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.896 0.379 . . . . 1.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.95 7.42 56.4 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.626 -0.99 . . . . 1.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.41 -81.72 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 1.0 110.365 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -113.46 8.1 17.74 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.574 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -86.86 131.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.645 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.62 133.96 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.278 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.9 p -108.39 129.49 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.379 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.55 145.98 51.99 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.299 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HB1' ' NE2' ' A' ' 68' ' ' GLN . . . -70.67 -39.55 73.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.616 0.722 . . . . 1.0 110.671 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -81.71 18.27 1.28 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.613 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -69.51 -6.18 28.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.233 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' O ' ' N ' ' A' ' 32' ' ' SER . 96.0 mt-10 58.02 42.98 21.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.654 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 50.42 -85.05 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 30' ' ' GLU . 41.1 m -152.65 167.85 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -64.59 145.76 55.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.483 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.71 142.47 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.398 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.74 123.54 1.81 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.92 -12.27 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.725 0.298 . . . . 1.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.87 -47.49 86.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.721 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -160.4 159.34 30.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.35 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.7 mt -111.91 130.54 55.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -96.35 8.48 43.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.573 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.2 m -59.59 -44.05 93.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.377 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.18 -41.41 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 1.0 110.181 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 97.2 mt-10 -72.17 -44.92 62.32 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.698 -0.401 . . . . 1.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.75 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 9.1 mm -66.31 -50.02 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.587 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -57.57 -42.46 81.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.223 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.0 tpt -62.98 -40.47 97.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.486 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.69 -47.34 84.05 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.83 0.348 . . . . 1.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.57 -44.84 77.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 1.0 110.27 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -63.56 -36.98 85.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -74.47 -44.43 51.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.774 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -64.81 -58.57 5.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.635 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -64.7 -35.88 82.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.21 29.04 26.27 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.2 pt -100.27 -160.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.815 0.341 . . . . 1.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -137.96 93.77 2.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.985 0.421 . . . . 1.0 110.198 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.76 128.54 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -89.79 146.93 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.411 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.33 -16.54 3.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.4 -24.41 31.96 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.496 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtt -95.34 -8.46 35.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.625 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.22 42.66 3.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.318 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -117.97 -35.2 3.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -136.76 49.11 2.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 37.7 mm -86.35 129.98 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.509 . . . . 1.0 110.643 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.84 -169.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 1.0 109.532 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 65' ' ' SER . 13.1 t -48.48 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.822 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.649 HD13 ' OG ' ' A' ' 10' ' ' SER . 82.8 mt -57.78 -42.37 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.295 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' NE2' ' HB1' ' A' ' 27' ' ' ALA . 11.3 mm-40 -42.47 -53.2 4.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.681 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.17 -41.44 85.97 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.53 87.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.612 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.58 87.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.636 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.91 -41.39 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.271 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.93 -44.32 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.647 HD13 ' CE2' ' A' ' 52' ' ' PHE . 67.5 mt -61.58 -43.06 96.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.601 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 95.0 mt-10 -51.49 -40.79 60.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.43 -24.57 74.77 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . 86.7 mt -86.9 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.971 0.415 . . . . 1.0 110.648 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.8 -9.54 34.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.655 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.21 -55.99 23.08 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.281 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.646 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -59.66 -39.55 84.82 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.806 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.646 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 88.9 tttt -140.19 125.52 18.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.703 -178.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.625 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.3 mttt -90.65 151.45 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.444 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -60.43 -41.24 93.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.798 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.6 pt-20 -57.82 -45.72 85.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.7 m -69.21 -41.84 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.513 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.08 -45.03 96.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.421 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -63.14 -38.09 89.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 17.3 mmmt -66.71 -46.58 75.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 97.0 t -62.17 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.598 ' OG ' HD13 ' A' ' 67' ' ' ILE . 12.7 m -60.1 -42.24 94.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.788 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -53.9 -45.03 70.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 1.0 110.869 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -53.23 -43.6 50.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.409 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.97 -45.67 96.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.581 0.55 . . . . 1.0 110.298 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -63.61 -38.2 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.459 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.37 -31.72 46.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 15.5 mmmt -60.31 -51.67 68.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.287 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -84.95 3.06 40.1 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.017 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 67.74 33.43 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.975 0.797 . . . . 1.0 110.03 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 17' ' ' LEU . 7.1 mp -92.75 -164.56 1.2 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.826 -178.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.89 12.11 44.37 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.711 -0.956 . . . . 1.0 110.711 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.54 -82.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 1.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -117.9 14.97 14.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -88.51 133.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.88 138.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.174 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' VAL . 7.3 p -119.59 129.44 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.378 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.34 161.76 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.2 0.524 . . . . 1.0 110.497 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.696 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -72.95 -57.44 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -71.69 18.27 0.08 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.688 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 27' ' ' ALA . 10.4 p -73.57 -12.11 60.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.062 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 60.54 110.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.354 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -56.58 -164.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.702 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 t -56.78 129.02 39.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.799 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -147.39 155.02 41.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.617 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 mt 40.83 -132.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.48 -136.09 47.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 143.8 57.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 1.0 110.533 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 42.2 p-10 -82.32 108.02 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' O1 ' ' A' ' 102' ' ' STE . . . -162.84 157.8 21.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.528 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.7 tp -95.69 85.34 4.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.477 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -93.09 -1.65 56.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.592 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.6 m -62.43 -42.56 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.791 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.61 -41.09 91.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 121.456 0.646 . . . . 1.0 110.599 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.9 mt-10 -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.554 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.56 -49.01 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.749 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.78 -44.61 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.701 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.566 ' N ' HG13 ' A' ' 45' ' ' VAL . 79.1 mmm -62.59 -39.53 94.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.198 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.5 m120 -60.73 -46.26 91.12 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.691 -0.403 . . . . 1.0 110.254 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.25 -46.31 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.87 0.367 . . . . 1.0 110.345 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.77 -41.0 97.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.95 -39.98 79.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 59.7 tt0 -67.2 -55.94 11.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.585 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' CE2' HD13 ' A' ' 74' ' ' ILE . 64.2 m-85 -74.91 -5.64 44.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.401 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.43 46.17 58.27 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.012 -0.835 . . . . 1.0 111.012 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.61 -167.31 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 120.647 0.261 . . . . 1.0 110.45 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.481 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -121.74 125.44 46.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.125 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 57' ' ' ASP . 60.0 t -127.31 159.32 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.44 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 56' ' ' VAL . 97.4 m-20 -129.13 165.77 20.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.539 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -65.5 -34.04 77.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.547 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.01 -27.12 68.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 14.8 ttpt -84.26 -31.13 25.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.81 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.63 50.91 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.589 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -117.15 -29.53 5.89 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.591 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -152.41 58.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.1 mm -89.17 128.53 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.898 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -64.79 -172.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.429 179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 68' ' ' GLN . 7.2 t -45.37 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 1.0 111.03 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.598 HD13 ' OG ' ' A' ' 10' ' ' SER . 76.1 mt -59.09 -42.56 86.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.727 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.696 HE21 ' CB ' ' A' ' 27' ' ' ALA . 63.8 mm-40 -40.6 -54.12 2.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.751 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' HG23 ' A' ' 73' ' ' VAL . 41.1 tt0 -69.79 -43.24 72.53 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.784 0.325 . . . . 1.0 110.596 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.51 74.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.4 -40.26 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 7.7 m-20 -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 69' ' ' GLN . 54.2 t -64.88 -43.08 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.365 . . . . 1.0 110.621 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' PHE . 27.2 mt -62.32 -42.8 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.289 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.1 mt-10 -47.52 -45.74 26.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.382 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . -63.98 -39.7 97.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' CD1' ' HZ3' ' A' ' 60' ' ' LYS . 36.2 mt -64.38 -38.67 91.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.718 0.294 . . . . 1.0 111.014 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.26 -38.11 82.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.544 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.8 -58.79 4.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.202 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.84 -21.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.471 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' GLY . 86.9 tttt -172.87 149.62 1.96 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.585 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.428 ' O1 ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -81.43 145.63 30.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.091 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.77 -40.25 83.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.844 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.1 pt-20 -61.99 -43.52 98.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.7 m -67.23 -42.66 83.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 91.1 mt -60.62 -45.44 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.813 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -66.17 -35.59 80.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -64.23 -44.7 91.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.037 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 5' ' ' THR . 98.1 t -59.21 -45.2 93.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.412 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 81.1 p -60.61 -41.26 94.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.567 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 34.7 t0 -54.09 -44.85 71.56 Favored 'General case' 0 CA--C 1.521 -0.139 0 O-C-N 123.398 0.436 . . . . 1.0 111.1 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.04 -46.36 23.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.478 -0.489 . . . . 1.0 110.111 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.37 -45.51 95.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 120.359 -0.536 . . . . 1.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CD ' HG22 ' A' ' 25' ' ' VAL . 1.6 mtpp -68.74 -41.08 79.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.67 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 11' ' ' ASP . 89.4 mt-10 -51.24 -34.87 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.65 . . . . 1.0 110.569 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.802 ' HZ2' HD11 ' A' ' 44' ' ' ILE . 28.6 mtpt -61.92 -43.72 98.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.978 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.814 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.4 mm? -95.06 -0.92 53.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 120.9 0.381 . . . . 1.0 110.121 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 69.52 29.0 4.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.173 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 17' ' ' LEU . 7.6 mp -89.43 -169.69 2.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.643 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.44 -5.0 77.35 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.12 -73.91 0.44 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.882 0.372 . . . . 1.0 110.378 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 55.1 t0 -103.82 19.2 20.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.418 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.95 135.23 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.365 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.18 140.98 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.186 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG22 ' CD ' ' A' ' 14' ' ' LYS . 45.3 t -118.17 130.34 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.375 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -138.21 151.01 47.28 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.976 0.417 . . . . 1.0 110.115 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.625 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -85.65 -35.26 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.872 -0.603 . . . . 1.0 111.064 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 1.3 m-20 -81.41 13.94 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.341 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -92.69 11.4 26.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.987 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 29' ' ' SER . 89.3 mt-10 57.27 155.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.09 -44.13 97.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.668 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.4 p -157.88 161.37 38.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.461 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.91 148.04 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.6 mt -72.23 138.84 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.4 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.47 -170.75 36.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.93 82.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 1.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -92.87 114.02 26.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -135.46 147.05 48.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.1 mp -79.67 149.73 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.47 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -77.85 122.49 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -62.12 -36.29 81.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.552 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.16 -35.35 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 1.0 110.268 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.0 mt-10 -72.34 -47.99 45.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.949 0.404 . . . . 1.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.802 HD11 ' HZ2' ' A' ' 16' ' ' LYS . 44.7 mm -63.54 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.547 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG13 ' N ' ' A' ' 46' ' ' MET . 9.1 p -60.24 -45.02 96.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.848 0.356 . . . . 1.0 110.769 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.573 ' N ' HG13 ' A' ' 45' ' ' VAL . 10.4 tpt -62.55 -40.02 95.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.565 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 5.6 m120 -63.14 -45.67 90.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.66 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -65.88 -44.61 84.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.982 0.42 . . . . 1.0 110.496 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.41 -32.54 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.106 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -79.09 -45.5 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.95 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -63.18 -50.56 69.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.557 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.4 m-85 -76.06 -22.31 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.491 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.95 36.79 82.39 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.531 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 pt -107.48 -163.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.825 0.345 . . . . 1.0 110.762 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 54' ' ' ILE . 6.2 m120 -135.31 107.59 7.26 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.002 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.5 p -123.1 132.36 71.55 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 48.8 t0 -87.67 160.9 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 17.5 pt-20 -64.13 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.48 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -65.97 -22.38 66.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.497 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' HD11 ' A' ' 64' ' ' ILE . 30.4 tptt -92.62 -21.26 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.523 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.25 44.54 1.67 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -117.54 -36.16 3.78 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -128.81 44.61 2.93 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.966 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 60' ' ' LYS . 45.9 mm -89.09 127.72 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 121.207 0.527 . . . . 1.0 110.553 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.508 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -58.89 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.579 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.2 t -47.8 -171.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.388 0.613 . . . . 1.0 110.608 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.541 ' N ' ' OG1' ' A' ' 66' ' ' THR . 78.9 mt -60.19 -42.08 89.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.625 HE21 ' CB ' ' A' ' 27' ' ' ALA . 37.3 mm-40 -42.34 -56.04 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.873 -0.331 . . . . 1.0 111.084 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 65' ' ' SER . 38.3 tt0 -64.34 -42.59 96.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.715 0.293 . . . . 1.0 111.082 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.0 -40.55 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.518 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.13 98.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.52 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.11 -42.02 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.419 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.13 -43.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.657 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.543 ' CG1' H182 ' A' ' 102' ' ' STE . 26.1 mt -62.73 -44.06 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.374 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 41.1 mm-40 -48.74 -41.84 33.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.425 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.68 -31.74 80.9 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' A' ' 81' ' ' LYS . 83.0 mt -80.12 -10.43 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 1.0 110.583 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.98 -12.14 29.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.599 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.77 -55.7 18.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.282 0.563 . . . . 1.0 111.171 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -24.32 4.22 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.732 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' LEU . 67.4 mttm -97.89 53.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.425 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.608 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.543 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.582 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 69.7 mmtt -79.34 151.69 30.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.473 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.97 -39.62 90.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.677 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.7 pt-20 -56.8 -46.3 81.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.473 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.0 m -68.92 -42.51 76.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.4 -44.98 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.261 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.91 -40.58 96.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.989 0.423 . . . . 1.0 110.524 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -65.55 -46.9 77.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.799 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.96 -46.04 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.078 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.739 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.3 m -63.42 -40.72 97.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.72 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -51.13 -42.42 60.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.175 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 HG23 ' NZ ' ' A' ' 16' ' ' LYS . 1.6 mp -57.14 -50.69 75.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 120.167 -0.613 . . . . 1.0 110.277 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.27 -43.03 88.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.196 0.522 . . . . 1.0 110.567 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.9 mtpp -63.99 -34.23 77.51 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -71.76 -25.54 62.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.034 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.636 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 9.1 mptt -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.464 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' CD1' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.23 5.85 26.1 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 70.02 69.26 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 18' ' ' ALA . 3.2 mp -128.53 -166.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.201 0.524 . . . . 1.0 110.576 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' H ' ' CG1' ' A' ' 23' ' ' VAL . . . 93.0 2.13 66.75 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -70.76 0.61 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.039 0.447 . . . . 1.0 110.69 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.4 p30 -117.17 42.18 2.6 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.154 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 20' ' ' GLY . 1.9 p -135.06 152.52 32.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.595 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 25' ' ' VAL . 9.9 p -88.65 152.29 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 1.0 109.941 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.7 p -121.65 130.82 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.493 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -135.28 152.7 51.76 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.311 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.475 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -74.21 -43.39 57.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.518 0.675 . . . . 1.0 110.852 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.52 19.16 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.637 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 p -68.58 -8.55 42.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.261 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 55.84 80.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 1.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -71.51 4.45 3.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.02 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -99.65 119.41 38.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.92 0.391 . . . . 1.0 110.254 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -146.32 150.58 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.658 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -77.45 146.97 36.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.47 160.75 33.46 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.367 . . . . 1.0 110.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.59 112.76 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -89.73 -4.38 57.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.645 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.72 1.2 39.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.635 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.581 ' O ' HG12 ' A' ' 45' ' ' VAL . 28.3 m -61.96 -41.89 98.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.667 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.64 -42.37 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.231 0.539 . . . . 1.0 110.531 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 98.3 mt-10 -73.83 -46.65 43.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.971 0.415 . . . . 1.0 111.059 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mm -64.66 -44.88 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.905 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 41' ' ' THR . 11.3 p -61.51 -44.06 97.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.729 -0.388 . . . . 1.0 110.87 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.2 mmm -65.6 -39.68 91.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.863 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.636 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 8.9 m120 -60.9 -48.02 83.74 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.38 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -68.34 -45.56 72.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.066 0.46 . . . . 1.0 110.065 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.98 -41.42 99.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 1.0 109.808 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.17 -42.56 72.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.754 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -63.25 -50.82 68.7 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.469 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -80.15 -10.71 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.45 47.52 82.71 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -115.41 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.87 0.367 . . . . 1.0 110.422 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.36 106.62 13.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.909 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 45' ' ' VAL . 39.9 t -113.41 131.15 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.235 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -101.08 166.31 10.86 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.264 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.27 -36.52 84.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.653 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -61.91 -34.15 75.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.321 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.747 ' NZ ' H183 ' A' ' 102' ' ' STE . 12.5 tmtt? -85.12 -26.88 26.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.239 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.75 50.1 0.83 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.031 0.443 . . . . 1.0 111.201 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -118.08 -40.82 2.93 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.81 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -139.53 60.56 1.57 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 60' ' ' LYS . 35.1 mm -87.7 127.53 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.436 0.636 . . . . 1.0 110.53 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -64.79 -172.72 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 1.0 109.687 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 65' ' ' SER . 12.8 t -45.37 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.438 0.637 . . . . 1.0 111.0 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.739 HD13 ' OG ' ' A' ' 10' ' ' SER . 74.9 mt -58.2 -41.88 82.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.825 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' H ' HG23 ' A' ' 66' ' ' THR . 10.2 mm-40 -40.5 -48.14 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.3 . . . . 1.0 110.719 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.8 mm100 -76.79 -44.31 33.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.659 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.71 -49.05 71.68 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.768 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.0 87.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.714 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 66.4 t0 -63.81 -45.19 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.316 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 69' ' ' GLN . 55.2 t -65.54 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.108 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.524 HD11 H181 ' A' ' 102' ' ' STE . 67.4 mt -60.37 -42.92 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 88.2 mt-10 -47.64 -46.18 28.55 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.638 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 81' ' ' LYS . . . -66.98 -42.29 92.74 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.705 -0.759 . . . . 1.0 111.28 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.74 -33.81 75.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 1.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.83 -35.17 75.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 -24.24 13.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 174.93 -64.53 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.8 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' A' ' 76' ' ' GLY . 49.1 pttt 178.79 157.33 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.66 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.512 ' N41' ' O1 ' ' A' ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.747 H183 ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.542 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.7 mttt -77.95 148.52 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.265 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.05 -36.01 76.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.864 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 19.4 pt-20 -59.92 -46.51 89.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.915 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.0 m -71.78 -41.02 68.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.02 -43.86 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.033 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -62.59 -40.71 97.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.441 0.639 . . . . 1.0 110.545 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 16.9 mmmt -61.93 -45.08 95.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.819 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 96.0 t -60.2 -46.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.119 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -63.38 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.78 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.47 -43.43 98.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.594 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.07 -45.74 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.789 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.21 -44.59 95.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.824 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ALA . 23.1 mttp -65.84 -43.99 86.87 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.706 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.82 -31.25 68.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.526 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HZ1' ' HA ' ' A' ' 44' ' ' ILE . 54.2 mttt -63.43 -36.47 83.83 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.798 -0.637 . . . . 1.0 111.439 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -110.25 -3.66 16.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.293 -179.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 73.32 61.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.735 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 17' ' ' LEU . 8.3 mp -116.91 -174.12 2.52 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.184 0.516 . . . . 1.0 110.536 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.38 -5.22 62.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.577 -1.009 . . . . 1.0 110.577 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.5 -76.53 0.28 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.11 -0.33 . . . . 1.0 110.11 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.28 11.02 40.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.01 133.61 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.061 0.458 . . . . 1.0 110.375 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.26 135.14 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.136 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HZ3' ' A' ' 14' ' ' LYS . 7.7 p -103.94 125.63 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.37 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.73 150.98 49.71 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.568 -0.53 . . . . 1.0 109.568 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -86.17 -39.74 16.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.087 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -80.72 12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.123 -179.246 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -91.11 13.06 17.98 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.64 -0.424 . . . . 1.0 110.985 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.3 mt-10 57.52 155.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.175 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -63.09 -36.84 84.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.291 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -152.03 147.88 27.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.512 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -62.61 -42.83 99.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.767 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -109.08 135.7 49.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' ALA . . . -58.31 -52.13 54.5 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 35' ' ' GLY . . . 38.72 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.674 0.273 . . . . 1.0 110.901 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.98 124.84 21.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 1.0 110.311 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -157.66 171.35 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.473 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' ' 42' ' ' VAL . 46.2 mt -95.53 17.47 14.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.489 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.56 -16.31 64.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.457 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 ' O ' HG12 ' A' ' 45' ' ' VAL . 87.1 m -63.99 -30.53 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.614 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 43' ' ' GLU . 2.5 p -64.0 -39.83 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.779 0.8 . . . . 1.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 42' ' ' VAL . 40.7 tp10 -72.4 -40.2 67.39 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.139 -0.937 . . . . 1.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.725 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 8.6 mm -66.45 -45.83 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.63 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -60.96 -41.87 90.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 1.0 110.389 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.483 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.1 mmm -64.63 -39.32 93.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 8.3 m120 -60.29 -42.9 96.43 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.522 -0.471 . . . . 1.0 110.005 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -73.71 -48.85 28.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.147 0.498 . . . . 1.0 110.232 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -59.64 -40.16 86.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 1.0 109.946 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -68.94 -46.29 68.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 38.1 tt0 -64.99 -57.86 7.6 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.834 -0.346 . . . . 1.0 110.857 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 74' ' ' ILE . 59.6 m-85 -65.44 -32.88 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.319 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.0 45.28 10.55 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.583 -1.007 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' LYS . 32.6 pt -118.14 -159.58 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.594 0.235 . . . . 1.0 110.544 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.751 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.67 114.91 15.37 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.845 -0.428 . . . . 1.0 109.845 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.423 HG11 HG23 ' A' ' 45' ' ' VAL . 90.0 t -116.13 130.05 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.187 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -93.0 154.43 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.369 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.428 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.46 -20.87 64.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.54 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 64' ' ' ILE . 34.2 tptt -88.35 -30.55 19.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.603 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.88 49.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.635 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -118.23 -35.87 3.71 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -137.02 52.53 1.93 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.25 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.1 mm -88.89 126.35 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.311 0.577 . . . . 1.0 110.269 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 66' ' ' THR . 5.2 m -57.73 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.332 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 2.5 t -47.5 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 1.0 110.986 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.529 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.0 mt -61.07 -42.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.59 HE21 ' CB ' ' A' ' 27' ' ' ALA . 34.9 mm-40 -41.74 -56.01 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.921 -0.311 . . . . 1.0 111.354 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.83 -39.25 90.66 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.955 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.13 81.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.95 97.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.643 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -64.37 -39.45 93.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.442 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG11 H181 ' A' ' 102' ' ' STE . 74.5 t -62.72 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.402 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 52' ' ' PHE . 52.1 mt -62.22 -43.18 97.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.6 mt-10 -51.83 -38.24 55.04 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.16 -34.22 87.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.9 mt -81.25 -8.88 59.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 1.0 111.399 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.52 -10.05 33.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.029 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.19 -60.73 2.37 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.395 0.617 . . . . 1.0 111.336 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.851 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -84.93 -40.28 17.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 1.0 111.234 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 87.0 tttt -109.52 91.17 3.54 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.433 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.486 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.425 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.55 H181 HG11 ' A' ' 73' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.541 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -80.98 150.95 28.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -60.58 -38.82 85.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.578 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 12.3 pt-20 -58.13 -46.68 85.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.639 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.2 m -68.38 -42.29 79.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.491 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.9 mt -60.45 -43.67 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.307 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -61.44 -39.04 89.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 1.0 110.189 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -64.72 -46.32 82.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.972 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 5' ' ' THR . 95.1 t -62.42 -46.77 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.571 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 t -60.23 -41.73 93.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.439 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -60.13 -41.0 91.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.623 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 1.2 mp -55.72 -34.71 36.97 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.12 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.2 -39.31 49.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.106 0.479 . . . . 1.0 110.006 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -64.96 -46.18 82.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.731 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 47' ' ' ASN . 5.9 pt-20 -53.45 -23.16 9.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.722 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 60.4 mmtt -66.15 -41.69 90.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.256 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.588 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -119.63 21.58 11.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.216 -0.447 . . . . 1.0 109.875 -178.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 50.57 78.99 0.09 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.79 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 18' ' ' ALA . 5.1 mp -125.8 -173.96 2.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.958 0.409 . . . . 1.0 110.551 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 -8.06 61.06 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.58 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.736 0.303 . . . . 1.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -116.2 15.79 15.93 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.542 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -116.77 134.05 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.894 0.378 . . . . 1.0 110.289 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 m -77.87 149.58 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.374 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.49 121.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.166 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.13 156.27 49.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.112 0.482 . . . . 1.0 110.601 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -74.31 -50.54 18.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.283 0.563 . . . . 1.0 110.811 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -76.13 18.14 0.3 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.571 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 30' ' ' GLU . 16.4 p -71.03 -8.52 53.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.927 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 59.35 130.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.233 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -56.74 -48.73 77.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.633 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 p -175.95 97.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.567 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.31 -46.52 83.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.606 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.66 -43.52 96.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.67 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.55 150.58 49.79 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.92 14.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.832 0.349 . . . . 1.0 110.643 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.31 118.08 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.57 -20.87 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.508 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -41.84 99.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.1 t0 -64.42 -36.31 83.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.468 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.7 m -56.95 -29.47 63.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.641 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.31 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.295 0.569 . . . . 1.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.45 -43.39 63.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.025 0.441 . . . . 1.0 110.914 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mm -68.64 -49.35 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.541 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 46' ' ' MET . 12.3 p -56.11 -44.34 78.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.512 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.555 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.9 mmm -63.41 -39.34 94.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.216 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -59.9 -44.95 93.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.279 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.03 -46.63 67.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.493 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.92 -40.92 99.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.07 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.48 -44.3 67.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.427 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.73 -57.45 8.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.57 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 74' ' ' ILE . 53.0 m-85 -66.41 -32.31 73.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.373 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.93 40.87 20.06 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 77' ' ' LEU . 27.4 pt -111.35 -165.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.704 0.287 . . . . 1.0 110.625 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.739 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -128.84 82.62 2.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 1.0 110.227 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -93.0 126.66 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -83.91 158.03 21.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.688 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.23 -33.27 75.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.467 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -64.95 -25.7 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.314 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 31.0 tptt -93.12 -12.22 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.554 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.37 40.63 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -117.91 -35.49 3.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.8 p30 -130.0 44.68 2.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.793 0.33 . . . . 1.0 110.715 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 42.4 mm -88.21 131.28 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.881 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 66' ' ' THR . 2.2 t -62.11 -171.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.486 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.45 -173.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.71 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -25.05 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.055 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.678 ' H ' HG23 ' A' ' 66' ' ' THR . 6.7 mm-40 -52.74 -56.51 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.883 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.5 mm100 -68.8 -43.3 75.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.958 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.04 70.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.09 99.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.857 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.4 m-20 -67.58 -41.18 84.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 69' ' ' GLN . 94.6 t -64.17 -42.6 96.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' PHE . 63.9 mt -62.79 -42.67 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.7 mt-10 -49.47 -43.64 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.255 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 -30.19 73.59 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 81' ' ' LYS . 90.0 mt -81.2 -8.43 59.75 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.052 0.453 . . . . 1.0 110.88 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -94.08 -15.5 24.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.032 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.61 -62.14 2.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -152.26 -19.64 0.17 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.373 -178.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 60.5 mttp -80.33 98.9 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.08 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.889 -1.053 . . . . 1.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.15 145.96 37.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.228 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -60.1 -40.62 90.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.491 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -58.84 -45.36 90.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.288 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 6.5 m -65.53 -42.49 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.438 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.3 -44.23 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.564 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.6 -38.84 91.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.159 0.504 . . . . 1.0 110.289 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -64.37 -45.42 87.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.667 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 67' ' ' ILE . 97.1 t -62.15 -47.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.27 -0.572 . . . . 1.0 110.282 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.0 p -61.76 -27.94 69.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLU . 28.9 m-20 -70.96 -39.12 72.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.925 0.393 . . . . 1.0 111.109 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mm -51.02 -51.66 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.497 -0.481 . . . . 1.0 110.973 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.15 -34.4 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.63 -33.54 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.95 0.405 . . . . 1.0 110.94 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' ASP . 94.6 mt-10 -67.25 -19.08 65.46 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.433 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 3.5 mptp? -63.77 -36.63 84.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.464 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -128.75 12.08 6.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.3 . . . . 1.0 110.399 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 65.95 84.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.237 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.7 mp -133.8 -171.72 2.8 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.131 0.491 . . . . 1.0 110.693 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -5.83 59.48 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 110.533 -1.027 . . . . 1.0 110.533 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.97 -72.71 0.44 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 1.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -97.63 8.68 44.21 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.03 131.96 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.466 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.03 132.73 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.084 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.64 126.24 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.455 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -140.66 150.67 43.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.172 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.517 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -75.1 -46.19 36.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.504 0.669 . . . . 1.0 111.053 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 2.5 m-20 -72.5 14.41 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.319 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' ALA . 4.9 p -78.65 -5.16 52.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.282 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' SER . 78.6 mt-10 59.3 143.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.177 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -61.33 -43.65 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -70.85 148.55 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.313 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -135.63 147.52 48.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.462 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.1 mp -75.85 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.414 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.76 28.8 64.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.881 -0.887 . . . . 1.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.29 158.79 42.85 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 110.587 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.64 176.67 8.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.578 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.483 ' N ' ' O25' ' A' ' 101' ' ' PNS . . . -58.03 150.5 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.239 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.4 tp -97.93 130.76 44.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -82.42 105.76 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.617 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.4 m -65.41 -39.9 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.622 . . . . 1.0 110.426 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 42' ' ' VAL . 1.3 m -58.81 -43.46 88.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.27 0.557 . . . . 1.0 110.475 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.77 -42.52 67.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.386 -0.525 . . . . 1.0 110.454 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mm -68.32 -46.42 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.559 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG13 ' N ' ' A' ' 46' ' ' MET . 9.5 p -63.16 -43.13 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 1.0 110.522 -178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.52 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.7 tpt -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.481 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 11.4 m120 -62.98 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -65.05 -44.32 89.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.935 0.398 . . . . 1.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLY . 76.0 tt0 -66.14 -39.82 90.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.103 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -71.2 -43.46 67.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.05 -46.57 83.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -86.75 -10.24 54.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.81 39.78 88.3 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.6 pt -107.26 -158.1 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 110.207 -0.294 . . . . 1.0 110.207 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.752 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -132.05 118.1 19.23 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.34 131.08 73.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.996 0.426 . . . . 1.0 110.055 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -93.18 151.43 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.332 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -60.18 -35.84 76.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.36 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.67 -19.01 64.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.615 ' O ' HD11 ' A' ' 64' ' ' ILE . 33.3 tptt -91.38 -29.74 16.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.43 47.43 0.93 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.645 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -118.06 -33.32 4.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -139.13 53.41 1.74 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.995 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 60' ' ' LYS . 46.0 mm -89.28 129.13 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.214 0.531 . . . . 1.0 110.61 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -57.04 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.46 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.0 t -49.08 -173.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.718 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.467 HG23 ' CG1' ' A' ' 9' ' ' VAL . 88.2 mt -61.74 -25.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.168 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.754 ' H ' HG23 ' A' ' 66' ' ' THR . 9.5 mm-40 -57.78 -50.57 72.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.823 -0.351 . . . . 1.0 111.051 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -70.13 -38.67 75.61 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.96 0.41 . . . . 1.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.77 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.707 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.17 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 1.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.75 -41.28 92.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.597 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.93 -44.05 98.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.18 -43.9 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.762 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -54.23 -33.95 59.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.308 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.26 -25.43 68.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' HZ1' ' A' ' 80' ' ' LYS . 83.9 mt -86.84 -9.82 54.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 1.0 110.895 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.1 mt -93.17 -18.13 22.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.622 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.65 -54.96 22.32 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.296 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.585 ' HZ1' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -104.52 -17.52 14.69 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.386 -0.825 . . . . 1.0 110.745 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 88.3 tttt 38.18 84.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.088 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.524 -179.528 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.483 ' O25' ' N ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.097 -0.705 . . . . 1.0 109.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 72.0 mmtt -79.45 148.6 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.357 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -60.92 -38.83 87.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.799 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 9.4 pt-20 -58.09 -46.23 85.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 1.0 110.642 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -69.41 -42.05 75.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.079 0.466 . . . . 1.0 110.674 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.5 mt -61.22 -43.25 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.995 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.3 -36.32 83.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.033 0.444 . . . . 1.0 109.831 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 18.4 mmmt -67.5 -46.2 73.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.815 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.78 -47.44 91.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.487 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.557 ' OG ' HD13 ' A' ' 67' ' ' ILE . 14.5 m -61.37 -45.94 92.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.107 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -49.58 -48.87 48.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.977 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -51.86 -53.26 18.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.885 -0.726 . . . . 1.0 110.446 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 17' ' ' LEU . 6.3 t -62.39 -42.89 97.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.123 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CD ' HG22 ' A' ' 25' ' ' VAL . 6.6 mttp -64.82 -36.14 83.38 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.338 -0.545 . . . . 1.0 111.166 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.89 -29.71 70.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.382 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HZ3' ' CG ' ' A' ' 47' ' ' ASN . 11.8 mptt -61.64 -47.47 85.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.576 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.897 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.11 -6.47 50.8 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.984 0.421 . . . . 1.0 110.261 179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 77.91 39.12 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.327 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 17' ' ' LEU . 5.5 mp -94.63 -170.65 2.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.208 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.585 -1.006 . . . . 1.0 110.585 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.06 -76.72 0.45 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.783 0.325 . . . . 1.0 110.527 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -95.17 8.01 44.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.71 134.04 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.118 0.485 . . . . 1.0 110.283 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.16 131.16 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.067 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG22 ' CD ' ' A' ' 14' ' ' LYS . 18.7 t -91.09 132.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.351 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -134.8 159.15 42.25 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.633 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.661 ' CB ' HE21 ' A' ' 68' ' ' GLN . . . -92.47 -16.77 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.743 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -87.97 -2.22 58.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.357 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -70.11 92.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -46.42 102.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.415 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -97.51 0.07 46.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 64' ' ' ILE . 99.1 p -99.62 100.78 11.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.924 0.392 . . . . 1.0 110.355 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' H ' ' H82' ' A' ' 102' ' ' STE . 62.5 mttp -146.57 -173.45 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.395 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 34' ' ' LEU . 4.8 tt -101.51 115.76 31.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.991 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' N ' HD23 ' A' ' 34' ' ' LEU . . . -77.16 -142.57 1.54 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.223 -0.751 . . . . 1.0 111.223 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -62.0 -46.27 89.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.702 -0.399 . . . . 1.0 110.713 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 97.3 m-20 -141.61 22.5 2.15 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.52 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 66.12 12.77 8.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.502 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -87.82 -4.08 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.367 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -63.53 -36.6 84.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.383 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 21.6 m -49.17 -31.62 8.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.348 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.35 -42.76 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.1 0.476 . . . . 1.0 110.656 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.7 mt-10 -74.52 -45.43 45.86 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.55 -47.36 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 112.034 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -58.7 -43.43 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.913 0.387 . . . . 1.0 110.52 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.551 ' N ' HG13 ' A' ' 45' ' ' VAL . 78.3 mmm -63.62 -39.41 94.3 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.532 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 11.8 m120 -61.64 -45.34 94.48 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 120.429 -0.509 . . . . 1.0 110.117 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.33 -42.76 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.219 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLY . 77.3 tt0 -67.94 -42.67 80.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.778 -0.646 . . . . 1.0 109.995 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.58 -42.19 82.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.693 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 49.5 tp10 -61.93 -51.57 67.59 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.464 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HB3' HG23 ' A' ' 54' ' ' ILE . 54.1 m-85 -87.1 -6.34 58.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 1.0 110.427 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 55.61 30.96 57.14 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.3 pt -92.2 -156.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.222 -0.288 . . . . 1.0 110.222 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.793 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -136.04 103.19 5.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.013 0.435 . . . . 1.0 110.1 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 45' ' ' VAL . 98.8 t -101.11 119.31 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.001 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -83.4 144.66 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.72 -21.37 7.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -78.18 -22.72 48.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.494 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.677 ' O ' HD11 ' A' ' 64' ' ' ILE . 8.8 mmtt -94.33 -22.65 18.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.707 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' THR . . . -108.98 43.45 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 1.0 110.392 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -117.24 -33.67 4.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.729 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -142.72 58.06 1.43 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.2 mm -88.9 129.01 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 121.209 0.528 . . . . 1.0 110.835 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.5 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -63.85 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.439 -0.801 . . . . 1.0 109.576 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' SER . 14.8 t -49.19 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.685 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.557 HD13 ' OG ' ' A' ' 10' ' ' SER . 81.2 mt -59.46 -43.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.659 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.661 HE21 ' CB ' ' A' ' 27' ' ' ALA . 39.8 mm-40 -45.08 -47.07 11.91 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.906 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -71.09 -41.33 70.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.84 0.352 . . . . 1.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.34 93.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.655 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.13 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.345 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -65.88 -40.82 91.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.728 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG21 HD12 ' A' ' 64' ' ' ILE . 50.1 t -60.78 -44.79 98.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.547 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.01 -42.77 96.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.638 -0.505 . . . . 1.0 109.638 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 94.8 mt-10 -53.26 -45.97 69.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.533 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.36 86.26 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 81' ' ' LYS . 75.3 mt -78.8 -8.4 58.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.066 0.46 . . . . 1.0 110.431 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.21 -9.91 31.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.857 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -69.33 -58.31 4.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.698 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -106.04 -29.27 10.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.44 -0.8 . . . . 1.0 110.772 -177.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.522 ' CB ' ' ND2' ' A' ' 55' ' ' ASN . 62.7 mmtt -105.33 148.71 26.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.579 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.426 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.521 ' S44' ' O ' ' A' ' 34' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.529 H122 HG23 ' A' ' 41' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.15 -0.685 . . . . 1.0 109.15 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 99.2 mttt -92.22 150.79 20.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -60.38 -38.64 84.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 14.6 pt-20 -58.24 -46.01 86.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.5 m -70.73 -41.57 71.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.545 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.37 -44.35 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.506 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -62.0 -38.57 89.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.116 0.484 . . . . 1.0 110.118 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.0 mmmt -64.97 -46.52 81.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.47 -46.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.722 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -57.9 -45.99 85.61 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.627 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -56.39 -43.64 79.47 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.647 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -56.33 -46.53 81.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.283 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.74 -43.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 O-C-N 123.442 0.464 . . . . 1.0 111.065 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -61.34 -39.09 89.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.658 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -61.74 -22.49 65.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.377 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HB2' HD23 ' A' ' 17' ' ' LEU . 52.6 mmtt -64.11 -43.66 94.64 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.366 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.44 4.18 32.99 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 71.66 61.49 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.557 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 17' ' ' LEU . 6.4 mp -121.22 -165.21 1.2 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.11 0.481 . . . . 1.0 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.4 12.65 50.78 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.667 -0.973 . . . . 1.0 110.667 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.14 -82.29 0.15 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.961 -0.296 . . . . 1.0 110.206 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -117.57 15.11 14.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.751 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -89.29 132.05 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.735 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.86 143.35 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.37 131.7 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 1.0 110.36 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -140.14 153.9 46.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.354 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -70.42 -24.04 62.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.431 0.634 . . . . 1.0 110.475 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -102.72 18.84 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.588 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -66.47 -12.33 56.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 94.3 mt-10 57.96 86.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.095 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 21.5 p90 -48.13 -13.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.56 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' OG ' ' CE1' ' A' ' 31' ' ' PHE . 30.6 p -151.47 151.72 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.337 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.99 -74.99 0.52 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.343 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.535 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.53 69.02 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.21 12.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.332 . . . . 1.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.47 -40.99 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.628 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -158.54 168.61 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.594 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 41' ' ' THR . 10.7 mp -65.66 -99.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' OD1' ' OE1' ' A' ' 43' ' ' GLU . 21.2 t70 61.24 -4.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.646 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.55 ' H ' ' C ' ' A' ' 39' ' ' LEU . 17.6 m -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.39 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.03 -34.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.493 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE1' ' OD1' ' A' ' 40' ' ' ASP . 95.9 mt-10 -71.77 -46.73 57.44 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.755 -0.378 . . . . 1.0 111.368 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.28 -47.79 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 112.023 0.379 . . . . 1.0 112.023 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 46' ' ' MET . 14.8 p -60.25 -44.49 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.912 0.387 . . . . 1.0 110.887 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' N ' HG13 ' A' ' 45' ' ' VAL . 75.0 mmm -64.65 -39.77 94.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.639 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -45.84 90.86 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.228 -0.589 . . . . 1.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.527 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' GLY . 74.1 tt0 -66.81 -42.16 86.35 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.8 -0.637 . . . . 1.0 110.054 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -69.33 -42.44 75.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.638 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.99 -48.33 80.84 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.783 -0.367 . . . . 1.0 110.762 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.16 -7.96 52.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 1.0 110.508 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 56.89 35.58 69.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.424 HD12 ' CB ' ' A' ' 77' ' ' LEU . 37.0 pt -99.9 -156.13 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.094 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.845 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -135.23 108.38 7.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.929 0.395 . . . . 1.0 110.188 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HG23 ' A' ' 45' ' ' VAL . 92.5 t -106.8 121.87 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.045 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -84.11 145.53 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -55.06 -18.07 4.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.38 -23.5 34.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 mmtt -93.79 -12.59 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.69 45.59 2.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 14.4 pt20 -117.77 -39.13 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 97.9 m-20 -138.15 54.75 1.78 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.861 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 60' ' ' LYS . 40.0 mm -88.14 131.61 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.326 0.584 . . . . 1.0 110.642 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.551 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -68.16 -172.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.404 -0.817 . . . . 1.0 109.842 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.551 ' O ' ' O ' ' A' ' 65' ' ' SER . 15.1 t -45.97 -172.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.522 0.677 . . . . 1.0 111.28 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.59 -41.31 78.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.612 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.558 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.6 mm-40 -40.64 -57.16 1.95 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.956 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -69.61 -40.72 76.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.869 0.366 . . . . 1.0 110.907 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.02 77.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.723 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.425 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -64.66 -39.82 94.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.6 -44.7 99.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.253 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.54 -42.88 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.427 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 93.9 mt-10 -51.36 -47.12 62.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.607 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.531 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . -66.22 -37.03 92.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.6 mt -73.13 -8.66 56.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 1.0 110.817 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.1 mt -93.6 -10.59 34.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -74.53 -63.82 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.113 0.483 . . . . 1.0 111.987 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' NZ ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -72.46 -39.52 67.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.254 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' A' ' 80' ' ' LYS . 87.6 tttt -119.18 113.18 20.49 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.686 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.893 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.402 ' O35' H311 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.576 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 71.0 mmtt -82.66 150.08 27.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.06 -40.63 94.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.626 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.5 pt-20 -56.15 -46.91 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.707 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.3 m -68.72 -42.54 77.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.86 -44.49 90.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.583 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.44 -40.2 86.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.938 0.399 . . . . 1.0 110.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.1 mmmt -66.0 -47.47 74.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.97 -46.4 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.251 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 78.1 p -61.07 -40.75 94.85 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.09 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.33 -37.87 84.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.677 0.275 . . . . 1.0 110.766 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -57.08 -47.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.95 -44.07 96.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 123.737 0.648 . . . . 1.0 110.321 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' A' ' 25' ' ' VAL . 12.0 mttp -64.2 -41.75 96.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.023 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -56.8 -19.58 17.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HB2' HD23 ' A' ' 17' ' ' LEU . 47.9 mmtt -65.43 -41.87 93.06 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.058 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -112.51 -0.95 15.07 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 76.74 72.08 0.07 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.251 0.344 . . . . 1.0 111.225 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.9 mp -127.61 -169.57 2.07 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.863 0.363 . . . . 1.0 110.721 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 8.91 53.16 Favored Glycine 0 N--CA 1.462 0.411 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.71 -82.27 0.23 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.725 0.298 . . . . 1.0 110.254 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -98.79 0.4 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.615 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -90.32 130.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.51 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.75 138.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.551 HG22 ' NZ ' ' A' ' 14' ' ' LYS . 13.1 t -112.66 132.41 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.022 0.439 . . . . 1.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.8 p -138.32 167.23 22.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.638 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -85.63 -35.51 20.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.608 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.1 t0 -79.97 -0.73 36.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.451 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.03 96.06 6.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.557 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -45.08 124.22 4.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.567 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 43.9 p90 -67.89 137.21 55.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.49 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 p 55.31 41.55 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.475 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.48 -41.93 99.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.5 mp -61.82 -42.88 99.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.46 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.12 4.95 64.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.91 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.78 -23.01 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . 46.38 61.96 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.56 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.03 139.76 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.6 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.81 142.6 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.2 m -63.7 -30.54 71.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.03 -34.13 66.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.268 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.59 -50.0 28.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.971 0.415 . . . . 1.0 111.038 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 mm -63.66 -49.44 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.356 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 9.8 p -60.2 -44.96 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.809 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.9 tpt -62.9 -37.99 89.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.452 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -48.28 80.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.69 -48.18 72.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.553 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.38 -34.89 76.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.447 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -77.0 -49.57 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -60.3 -55.88 28.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.502 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.655 ' CE2' HD13 ' A' ' 74' ' ' ILE . 55.3 m-85 -67.78 -34.75 77.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.481 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.73 40.74 10.42 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 77' ' ' LEU . 32.9 pt -114.36 -157.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.623 0.249 . . . . 1.0 110.554 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.786 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -135.18 110.89 9.27 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.864 0.364 . . . . 1.0 110.289 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.55 130.09 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 110.653 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.04 159.99 16.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.303 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.1 mp0 -64.84 -38.33 90.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.79 -17.73 64.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' O ' HD11 ' A' ' 64' ' ' ILE . 29.9 tptt -92.65 -29.17 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.96 49.5 0.86 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.285 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -117.18 -30.23 5.69 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.525 -0.307 . . . . 1.0 110.574 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -147.47 59.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 60' ' ' LYS . 42.2 mm -88.72 129.13 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.776 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -64.23 -170.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.505 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.541 ' O ' ' O ' ' A' ' 65' ' ' SER . 1.8 t -46.11 -173.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.6 0.714 . . . . 1.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.53 ' N ' ' OG1' ' A' ' 66' ' ' THR . 85.9 mt -59.19 -41.06 82.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.745 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.532 HE21 ' HB1' ' A' ' 27' ' ' ALA . 7.8 mm-40 -41.67 -56.89 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.83 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 73' ' ' VAL . 18.4 mm100 -65.69 -44.88 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.822 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -46.57 74.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.798 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.36 98.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.699 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.38 -40.95 94.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' GLN . 73.5 t -63.87 -42.98 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.463 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.655 HD13 ' CE2' ' A' ' 52' ' ' PHE . 68.9 mt -62.48 -43.48 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.497 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 86.4 mt-10 -48.11 -48.8 33.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.695 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.59 72.34 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.858 -0.897 . . . . 1.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CB ' HD12 ' A' ' 54' ' ' ILE . 85.2 mt -82.23 -11.09 58.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 1.0 110.992 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -93.18 -18.55 22.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.84 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -53.36 -60.41 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -4.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.562 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 77' ' ' LEU . 32.8 mmtt -84.82 126.33 33.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.299 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.593 179.603 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.546 H311 ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -76.11 149.92 37.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -60.93 -40.5 93.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.726 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 5' ' ' THR . 10.7 pt-20 -58.76 -44.1 90.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.354 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.4 m -67.97 -41.92 81.65 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.509 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 27' ' ' ALA . 82.0 mt -60.58 -44.81 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.804 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.12 -37.14 86.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.992 0.425 . . . . 1.0 110.385 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 18.1 mmmt -65.19 -46.19 81.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.03 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.2 -47.39 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.341 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 89.2 p -60.68 -43.45 97.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -53.44 -43.09 67.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.112 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.4 mp -59.09 -45.21 92.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.314 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.59 -44.28 98.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.937 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 10' ' ' SER . 2.2 mtpp -63.56 -38.49 91.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.84 0.352 . . . . 1.0 110.86 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -54.77 -45.59 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.065 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -46.73 -52.43 13.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.316 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.726 ' HB2' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -86.01 -0.48 55.64 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.269 0.557 . . . . 1.0 109.926 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 68.88 33.39 3.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' A' ' 17' ' ' LEU . 6.0 mp -89.75 -165.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.601 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.11 6.64 58.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -77.33 0.16 Allowed 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -116.12 5.5 13.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.818 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.63 133.06 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.489 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG13 ' H ' ' A' ' 24' ' ' VAL . 2.6 m -68.2 156.61 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.04 130.11 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.232 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -136.36 157.52 46.6 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.416 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -87.26 -29.97 21.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.219 0.533 . . . . 1.0 110.547 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.63 0.28 39.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.481 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -86.51 97.89 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.174 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -43.58 125.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 32' ' ' SER . 33.1 p90 -57.88 -35.02 70.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.625 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.595 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 32.7 m -63.59 145.1 56.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.171 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -111.05 144.05 40.79 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -88.28 134.11 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.499 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.809 -0.917 . . . . 1.0 110.809 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.21 140.59 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.281 . . . . 1.0 110.561 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.84 -47.89 83.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.559 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -162.28 161.31 27.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 tp -117.54 132.18 56.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -85.58 88.7 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.726 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 25.8 m -63.28 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.75 -39.02 83.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.199 0.523 . . . . 1.0 110.601 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 97.2 mt-10 -71.84 -45.3 61.89 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.408 -0.517 . . . . 1.0 111.056 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.87 -47.03 90.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.847 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' N ' ' A' ' 46' ' ' MET . 14.5 p -62.22 -44.81 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.08 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.572 ' N ' HG13 ' A' ' 45' ' ' VAL . 77.7 mmm -62.62 -39.4 93.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 9.6 m120 -61.72 -44.2 97.39 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.26 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.53 -43.26 73.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.878 0.37 . . . . 1.0 110.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLY . 31.1 tt0 -67.98 -42.39 80.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.172 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -67.33 -41.77 84.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.699 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -62.47 -52.45 63.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.652 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 57.3 m-85 -86.35 -5.89 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.506 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.612 ' C ' ' HZ2' ' A' ' 81' ' ' LYS . . . 54.82 29.05 49.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 52' ' ' PHE . 34.0 pt -89.45 -166.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 1.0 110.469 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.74 105.39 9.26 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.967 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.95 127.62 65.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -91.01 149.51 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.313 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 57.0 mp0 -56.35 -17.89 9.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -82.14 -20.74 37.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.92 0.391 . . . . 1.0 110.153 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.6 mmtt -96.23 -10.27 28.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.38 38.39 4.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.701 0.286 . . . . 1.0 110.384 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 13.0 pt20 -116.81 -30.83 5.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.645 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 62' ' ' GLN . 96.5 m-20 -141.58 54.0 1.51 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.109 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.603 HD11 ' O ' ' A' ' 60' ' ' LYS . 39.1 mm -88.78 129.75 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.345 0.593 . . . . 1.0 110.516 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 66' ' ' THR . 3.6 m -69.43 -171.75 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.213 -0.903 . . . . 1.0 109.932 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.577 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.0 t -44.02 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.668 0.747 . . . . 1.0 111.289 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.26 -42.98 92.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.837 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.606 HE21 ' HB1' ' A' ' 27' ' ' ALA . 8.6 mm-40 -41.64 -56.2 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.092 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -67.25 -41.89 84.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.952 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.41 78.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.642 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.74 87.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.88 -38.31 90.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.333 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.83 -44.44 99.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.648 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.38 -44.67 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.021 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 55.7 mm-40 -57.26 -42.41 81.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.93 74.95 Favored Glycine 0 N--CA 1.46 0.245 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.43 -11.51 51.69 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.09 0.471 . . . . 1.0 111.344 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -97.64 -7.35 31.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.75 -60.36 3.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.556 0.693 . . . . 1.0 111.87 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD2' ' H ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -70.17 -34.98 73.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.546 -1.206 . . . . 1.0 110.66 -178.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.612 ' HZ2' ' C ' ' A' ' 53' ' ' GLY . 88.6 tttt -62.48 -37.13 84.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.983 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-O 117.96 -1.019 . . . . 1.0 110.972 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.54 146.54 32.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.256 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -59.39 -41.4 89.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.696 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' GLU . 4.0 pt-20 -59.28 -44.44 92.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.445 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 m -66.82 -43.3 84.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.511 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.459 HD13 HE22 ' A' ' 68' ' ' GLN . 90.0 mt -59.71 -45.83 94.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.307 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.2 mmmm -66.03 -45.28 82.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 5' ' ' THR . 76.9 t -60.19 -47.13 93.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.407 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -64.15 -35.97 82.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.69 -36.92 79.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 123.262 0.351 . . . . 1.0 110.627 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.5 mp -58.29 -48.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.11 -44.8 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.643 -0.423 . . . . 1.0 111.456 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -60.94 -36.83 80.38 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.019 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.77 -33.84 76.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.657 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 12' ' ' ILE . 72.1 mmtt -61.21 -37.08 81.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.926 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.82 HD12 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -99.18 -2.57 36.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.724 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 75.69 49.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD22 HD12 ' A' ' 17' ' ' LEU . 8.6 mp -117.09 -164.61 1.0 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.131 0.491 . . . . 1.0 110.171 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.55 11.65 43.73 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.07 -81.83 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.177 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -118.51 14.06 13.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.768 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -87.2 132.86 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.39 136.87 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.086 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' VAL . 14.1 p -119.79 130.48 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.698 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -133.69 152.03 51.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.044 0.45 . . . . 1.0 110.169 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 29' ' ' SER . . . -74.39 -51.92 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.63 0.728 . . . . 1.0 110.645 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.52 17.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.657 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 27' ' ' ALA . 8.5 t -68.9 -5.77 23.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 31' ' ' PHE . 95.4 mt-10 57.02 50.25 12.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.12 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' GLU . 25.3 m-85 42.35 94.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.077 0.465 . . . . 1.0 109.987 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -47.48 -41.19 20.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.527 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.67 133.17 50.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 1.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.498 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASP . . . 79.37 -2.53 71.2 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 39.22 -89.37 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.796 0.331 . . . . 1.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 38' ' ' SER . 40.5 t0 -130.18 -164.54 1.43 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.232 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.588 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -64.36 -11.37 31.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.754 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 39' ' ' LEU . 4.2 mm? -63.18 -38.32 90.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.5 -23.1 26.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.609 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.3 m -62.81 -41.56 99.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.798 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 39' ' ' LEU . 2.5 m -58.99 -41.41 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.562 0.696 . . . . 1.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -43.21 76.61 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mm -69.24 -48.17 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 41' ' ' THR . 7.2 p -62.11 -32.87 55.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.519 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.77 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.658 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -44.23 96.51 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.117 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.61 -46.39 72.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.169 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.72 -34.92 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.733 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.85 -47.14 48.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.239 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.02 -58.82 6.43 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.6 -30.05 69.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.198 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.99 25.95 65.58 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.609 -0.997 . . . . 1.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 pt -90.21 -163.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.659 0.266 . . . . 1.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.765 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -137.88 82.75 1.94 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.068 0.461 . . . . 1.0 110.214 -179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.3 p -95.74 130.13 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.087 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 50.9 p30 -86.58 169.79 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.647 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.64 -33.93 73.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.58 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 58.1 t0 -62.43 -30.05 70.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.503 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' O ' HD11 ' A' ' 64' ' ' ILE . 31.3 tptt -94.31 -11.19 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 1.0 110.365 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.99 45.66 2.35 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.603 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -118.05 -41.43 2.88 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.772 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -130.78 57.19 1.75 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.918 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.08 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -60.4 -170.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.451 -0.795 . . . . 1.0 109.461 179.037 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 65' ' ' SER . 13.8 t -48.06 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.555 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.56 -42.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 HE22 HD13 ' A' ' 6' ' ' ILE . 11.8 mm-40 -44.43 -49.5 9.73 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.4 tp60 -67.61 -40.68 84.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.19 94.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.411 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.1 93.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.549 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 6.3 m-20 -67.88 -42.41 81.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.479 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 64' ' ' ILE . 64.2 t -62.83 -44.13 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.473 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' CG1' H182 ' A' ' 102' ' ' STE . 25.8 mt -61.94 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.234 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -54.06 -33.88 58.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.344 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.81 73.63 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.8 mt -88.31 -8.81 54.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.878 0.371 . . . . 1.0 111.245 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 mt -94.18 -14.11 25.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.252 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -62.87 -61.41 2.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.292 0.568 . . . . 1.0 110.943 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -47.47 85.77 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.22 -0.9 . . . . 1.0 109.925 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -62.5 -29.11 70.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.08 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.242 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.2 -179.688 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.499 H182 ' CG1' ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 75' ' ' GLU . 68.9 mttm -100.58 149.9 23.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.375 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.69 -40.53 88.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.4 pt-20 -59.4 -43.76 92.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.667 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.7 m -70.96 -40.07 72.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.505 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 27' ' ' ALA . 77.7 mt -62.24 -44.46 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.586 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.93 -39.51 92.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mmmm -64.48 -46.43 83.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.635 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.15 -48.14 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.547 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -61.8 -40.19 94.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.159 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -56.04 -42.1 76.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.733 0.301 . . . . 1.0 110.528 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 51' ' ' GLU . 1.5 mp -57.76 -44.83 86.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.534 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.06 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 O-C-N 123.33 0.393 . . . . 1.0 110.884 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -62.92 -40.71 98.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.911 -179.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -55.77 -19.97 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.606 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.6 -39.42 93.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.696 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.33 22.14 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.365 179.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.67 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.278 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 18' ' ' ALA . 1.6 mp -135.35 -168.63 2.22 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.646 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.22 60.79 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.67 -72.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.612 0.244 . . . . 1.0 110.448 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -114.18 25.47 11.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.62 133.45 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.933 0.397 . . . . 1.0 110.486 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.77 130.86 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.227 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HD2' ' A' ' 14' ' ' LYS . 79.9 t -123.79 127.86 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.052 0.453 . . . . 1.0 110.443 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -145.38 169.1 18.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.44 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.581 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -67.74 -33.51 75.0 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.651 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 55.8 t0 -96.86 18.15 15.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.392 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 30' ' ' GLU . 17.4 m -71.42 -6.47 40.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.98 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 29' ' ' SER . 93.2 mt-10 59.4 142.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -68.4 138.54 55.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.16 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.7 t -113.1 118.76 35.65 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.07 133.65 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.23 -41.83 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.44 -43.21 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.51 142.93 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.101 -0.239 . . . . 1.0 110.368 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 38' ' ' SER . 53.9 t0 -108.63 150.24 27.8 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.272 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.544 ' N ' ' OD1' ' A' ' 37' ' ' ASP . . . 66.91 -45.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 37' ' ' ASP . 86.2 mt -62.25 -41.25 98.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.646 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.5 -42.52 98.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.535 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.591 ' O ' HG12 ' A' ' 45' ' ' VAL . 15.8 m -58.72 -41.49 86.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.68 -42.54 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 1.0 110.344 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 45.6 tp10 -75.75 -42.91 49.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.797 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.31 -46.91 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.505 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 41' ' ' THR . 13.5 p -58.85 -44.12 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.451 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.548 ' N ' HG13 ' A' ' 45' ' ' VAL . 81.0 mmm -62.96 -38.68 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.083 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 43' ' ' GLU . 11.1 m120 -60.58 -43.34 97.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.117 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -68.77 -44.95 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.444 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLY . 79.6 tt0 -66.15 -41.76 89.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.29 -42.68 79.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.579 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' OE1' HD11 ' A' ' 12' ' ' ILE . 64.3 tt0 -61.61 -54.2 46.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.676 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -84.16 -5.07 59.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.682 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 51.4 46.57 52.33 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 77' ' ' LEU . 26.7 pt -108.98 -160.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 110.217 -0.29 . . . . 1.0 110.217 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.855 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -131.9 105.76 7.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.275 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.9 p -118.47 129.19 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.979 0.419 . . . . 1.0 109.968 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -85.26 166.94 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.464 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.65 -31.07 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.555 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 62' ' ' GLN . 12.9 t70 -70.13 -20.04 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.212 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CG1' ' A' ' 64' ' ' ILE . 8.3 mmtm -90.34 -12.91 36.28 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.683 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.57 30.16 6.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' OD1' ' A' ' 59' ' ' ASP . 2.5 pt20 -99.75 -37.83 8.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.57 -0.286 . . . . 1.0 110.766 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -142.21 58.69 1.47 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.818 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 60' ' ' LYS . 35.9 mm -90.18 131.95 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.74 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -61.36 -170.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.621 -0.718 . . . . 1.0 110.035 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 68' ' ' GLN . 9.2 t -49.92 -174.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.647 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.14 -24.98 25.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.057 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.663 ' H ' HG23 ' A' ' 66' ' ' THR . 5.1 mm-40 -53.34 -56.47 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 1.0 110.894 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.23 -39.94 78.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.016 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.57 75.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.833 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.39 94.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.39 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.22 -37.88 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.551 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.8 -44.53 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.3 mt -62.69 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.334 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 2' ' ' LYS . 92.9 mt-10 -51.34 -47.15 62.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.639 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.63 93.32 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 55' ' ' ASN . 85.1 mt -66.24 -32.01 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.968 0.413 . . . . 1.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.37 -35.42 79.11 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -63.44 -57.06 11.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.373 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.18 -25.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ALA . 52.5 tttp -175.5 159.11 2.36 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.335 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.715 -1.136 . . . . 1.0 110.711 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -77.38 148.51 35.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.66 -40.72 88.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.728 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.2 pt-20 -58.4 -44.91 89.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 5.6 m -67.53 -43.16 81.44 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.664 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.23 -42.92 88.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.622 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -37.09 84.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 1.0 110.297 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' ILE . 17.4 mmmt -64.7 -46.34 82.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' A' ' 67' ' ' ILE . 76.9 t -60.01 -47.5 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.63 -179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.4 p -61.52 -40.02 93.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.575 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -38.81 91.9 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 8' ' ' LYS . 1.3 mp -57.31 -33.64 44.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.593 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -72.49 -41.81 64.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.051 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -63.73 -46.38 85.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.566 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 13.3 pt-20 -53.58 -20.89 5.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 1.0 111.014 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 35.6 mmtt -63.22 -39.41 94.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.672 -179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -119.61 23.89 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.39 179.747 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.693 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 53.21 74.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.081 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 18' ' ' ALA . 2.4 mp -131.74 -165.61 1.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.038 0.447 . . . . 1.0 110.473 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.35 2.66 65.61 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.36 -75.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -118.01 31.44 6.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.587 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.25 132.56 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.953 0.406 . . . . 1.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.21 140.4 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.52 129.49 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.681 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.33 148.47 39.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.266 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB1' HE21 ' A' ' 68' ' ' GLN . . . -73.64 -43.09 60.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -77.02 17.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' ALA . 1.3 p -86.08 4.3 38.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.025 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' SER . 95.5 mt-10 56.94 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.64 139.28 38.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -83.02 165.0 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.28 128.24 47.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.493 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -92.14 130.93 37.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.1 -171.05 0.99 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.693 -0.963 . . . . 1.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.69 -8.91 58.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.698 0.285 . . . . 1.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -81.46 110.08 16.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.549 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -88.06 -3.6 58.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.19 34.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.604 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -82.39 -6.2 59.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.513 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.421 ' O ' HG12 ' A' ' 45' ' ' VAL . 18.2 m -49.73 -40.25 40.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.585 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.304 0.573 . . . . 1.0 110.625 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 81.0 tt0 -71.11 -44.5 65.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.771 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' HZ2' ' A' ' 16' ' ' LYS . 46.3 mm -68.33 -47.49 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.732 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 46' ' ' MET . 9.6 p -61.08 -42.25 92.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.48 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -61.62 -39.34 90.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.637 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.557 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 5.4 m120 -62.36 -46.82 86.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.73 -0.388 . . . . 1.0 110.443 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.82 -43.49 83.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -67.74 -38.76 83.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.041 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -72.67 -42.63 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.571 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -61.29 -54.27 46.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.426 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HB3' HG23 ' A' ' 54' ' ' ILE . 47.5 m-85 -81.59 -7.77 59.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.29 31.17 59.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 52' ' ' PHE . 39.2 pt -93.3 -164.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.382 -0.229 . . . . 1.0 110.382 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.808 HD22 ' H ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -125.3 110.03 13.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.247 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -115.87 129.17 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.264 -0.426 . . . . 1.0 109.992 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -91.26 151.74 20.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -59.18 -39.43 82.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.365 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.69 -34.23 76.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.121 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 32.4 tptt -77.46 -30.7 53.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.02 44.15 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' NE2' ' CG ' ' A' ' 63' ' ' ASP . 1.4 pp0? -118.98 -33.11 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.791 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 62' ' ' GLN . 31.1 p-10 -132.29 49.56 2.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.15 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 60' ' ' LYS . 47.2 mm -89.51 133.11 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.497 ' OG ' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -65.38 -170.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.927 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 67' ' ' ILE . 1.8 t -49.53 -172.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.691 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.539 ' N ' ' OG1' ' A' ' 66' ' ' THR . 96.0 mt -59.4 -25.77 32.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.199 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.5 HE21 ' HB1' ' A' ' 27' ' ' ALA . 9.4 mm-40 -59.37 -47.44 85.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.937 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -72.38 -41.23 66.59 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.74 73.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.47 87.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.506 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.17 -40.72 90.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD12 ' A' ' 64' ' ' ILE . 90.3 t -64.18 -41.85 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.275 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 78' ' ' LEU . 78.8 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.593 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -58.53 -36.52 73.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.52 -24.53 74.65 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.115 -0.794 . . . . 1.0 111.115 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.3 mt -88.58 -8.32 54.92 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 111.181 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 74' ' ' ILE . 11.2 mt -94.48 -9.59 34.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.086 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.8 -57.48 4.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.571 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -97.66 5.06 49.86 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.007 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HD2' HG22 ' A' ' 54' ' ' ILE . 71.6 tttt -39.97 -28.02 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.985 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--N 1.312 -1.062 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.638 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' STE . . . . . 0.402 H181 HG13 ' A' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_