data_2k1s_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 2k1s _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 ' 2' ' ' TYR . . . . . 0.406 ' OH ' ' HB2' ' A' ' 65' ' ' LYS . 26.6 t80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.528 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.776 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HA ' HD11 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.778 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.658 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.538 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.405 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.778 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.491 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.502 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.602 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.658 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.687 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HZ3' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.578 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.54 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' CG ' ' HZ2' ' A' ' 128' ' ' LYS . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.454 ' CB ' ' HZ1' ' A' ' 128' ' ' LYS . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.622 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.513 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.531 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.431 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.457 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.524 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.524 ' OE2' ' HB ' ' A' ' 124' ' ' THR . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.431 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HZ1' ' CB ' ' A' ' 77' ' ' THR . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.519 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.563 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 28.2 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.563 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.687 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.471 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.479 ' HB3' HG22 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.596 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' A' ' 22' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.53 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.461 ' HE1' HG22 ' A' ' 52' ' ' THR . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.486 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' HE1' ' A' ' 32' ' ' MET . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.933 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.49 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.567 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.592 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.592 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.933 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' ASP . 58.6 t80 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' TYR . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.635 HE22 HG23 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.552 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 HD13 ' A' ' 10' ' ' LEU . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' A' ' 35' ' ' ASN . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 33' ' ' PRO . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.605 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.605 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.635 HG23 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.596 HD22 ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.693 HG13 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.661 ' HB ' ' HG ' ' A' ' 87' ' ' SER . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.661 ' HG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.452 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.549 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.656 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.712 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.47 HD21 ' N ' ' A' ' 117' ' ' ASN . 0.9 OUTLIER 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' HB2' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.515 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.541 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.693 HG12 HG13 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.596 ' HB ' HD22 ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.749 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.511 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.678 HD13 HD23 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD23 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.507 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.647 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD12 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.768 HG22 HD12 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.406 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.468 ' HG2' HD12 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.586 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.406 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.452 HD21 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.47 ' HA3' HG13 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 t-20 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.451 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG23 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' THR . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' HE1' ' A' ' 58' ' ' MET . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 54' ' ' THR . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG22 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 109' ' ' ARG . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.505 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.5 HD11 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.5 HH12 HD11 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.489 HD21 ' HB1' ' A' ' 67' ' ' ALA . 80.1 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.577 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.449 ' HB3' HD12 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.492 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.698 HD22 ' HD2' ' A' ' 133' ' ' ARG . 14.6 t-20 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.744 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.549 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.53 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.739 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.744 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.542 ' HA ' HG23 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.549 HG12 ' HB ' ' A' ' 68' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.522 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.513 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.522 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.641 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.698 ' HD2' HD22 ' A' ' 31' ' ' ASN . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.577 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.549 ' HE3' HG13 ' A' ' 28' ' ' ILE . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.698 ' HA ' ' HE3' ' A' ' 14' ' ' MET . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.552 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.549 HG13 ' HE3' ' A' ' 3' ' ' MET . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.704 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.545 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.525 ' H ' HG23 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.3 mm-40 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.639 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.639 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.466 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.652 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.652 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.697 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.704 ' NH2' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.52 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.518 ' HD3' ' HE1' ' A' ' 3' ' ' MET . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.41 HD21 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.591 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.531 HG22 HD13 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.706 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.427 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.413 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.416 ' HB2' HD11 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.492 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.492 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.497 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.474 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.59 ' HH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.409 ' HE2' HG13 ' A' ' 28' ' ' ILE . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.593 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' HE2' ' A' ' 3' ' ' MET . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG2' HG12 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.42 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.59 ' HB3' ' HH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.538 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' HD2' ' HG3' ' A' ' 115' ' ' PRO . 45.0 m80 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.576 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.477 ' HG3' ' HD2' ' A' ' 80' ' ' HIS . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.657 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.493 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.471 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.493 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.657 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.413 HG13 HG22 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' HH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 111.716 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.495 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 HD23 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.504 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.696 HD23 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.418 HD22 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG21 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HG3' ' HH ' ' A' ' 2' ' ' TYR . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' ' 139' ' ' SER . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.51 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.522 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 21.3 m-70 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.43 HH22 ' HB ' ' A' ' 74' ' ' THR . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.499 ' HA ' HG23 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.643 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.509 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.522 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.509 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.477 ' HG ' ' HB1' ' A' ' 67' ' ' ALA . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.51 ' HE2' HG13 ' A' ' 28' ' ' ILE . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG21 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HE3' HG21 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.615 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.615 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.51 HG13 ' HE2' ' A' ' 3' ' ' MET . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.444 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.416 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.555 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.48 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.825 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.527 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.835 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.692 HG21 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.429 ' O ' ' HG3' ' A' ' 84' ' ' MET . 39.8 m80 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.742 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.435 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.825 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 67' ' ' ALA . 42.8 mt . . . . . 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.411 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.809 0.338 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE1' HG23 ' A' ' 52' ' ' THR . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.695 HG21 HG22 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' HG12 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.523 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.695 HG22 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.419 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.525 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.488 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.43 HG22 ' HB1' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.877 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.567 HG22 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA3' HG13 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.448 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.734 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.734 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.529 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.461 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.559 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.608 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.559 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.608 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG11 ' A' ' 5' ' ' VAL . 19.9 t80 . . . . . 0 C--O 1.228 -0.078 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD11 HD22 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.599 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.409 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.891 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.891 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.458 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.458 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.542 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.599 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 67' ' ' ALA . 43.5 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HH ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 t80 . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.667 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.445 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.647 ' HG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.647 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.671 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 ' HE1' ' A' ' 14' ' ' MET . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.731 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' HA ' ' HH ' ' A' ' 2' ' ' TYR . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.513 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 ' HB ' HG22 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.441 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.513 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.505 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.505 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.671 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.516 ' HE3' HG13 ' A' ' 28' ' ' ILE . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' TYR . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.464 HE21 HG13 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.516 HG13 ' HE3' ' A' ' 3' ' ' MET . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.557 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.523 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.587 HG23 HG12 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.521 ' HG2' HD11 ' A' ' 119' ' ' ILE . 5.2 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.587 HG12 HG23 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.405 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.565 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.529 0.204 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.531 ' HG3' HG13 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HB2' HD12 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.43 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.483 ' O ' HG21 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.525 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 5.7 m-20 -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 HG21 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.42 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.509 ' NH2' HD22 ' A' ' 69' ' ' ASN . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.587 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.413 HD21 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.607 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.607 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 . . . . . 0 C--O 1.225 -0.2 0 CA-C-O 120.693 0.282 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.449 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.611 HE22 HG22 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.541 ' SD ' HG21 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.518 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.618 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.541 HG21 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.611 HG22 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.456 ' HG1' ' HA2' ' A' ' 114' ' ' GLY . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.464 ' HG3' ' HB2' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.587 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.587 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.427 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.427 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.492 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' HA2' ' HG1' ' A' ' 74' ' ' THR . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.482 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.414 ' HG2' HH21 ' A' ' 133' ' ' ARG . 8.6 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.482 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.739 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.667 0.27 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.739 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.572 ' HG1' ' HB2' ' A' ' 14' ' ' MET . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 HG13 ' HE3' ' A' ' 3' ' ' MET . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.428 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.522 ' HG1' ' ND2' ' A' ' 83' ' ' ASN . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 76' ' ' SER . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.501 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' ND2' ' HG1' ' A' ' 74' ' ' THR . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.426 ' NE2' ' HG1' ' A' ' 54' ' ' THR . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.496 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.461 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.566 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.532 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 8.9 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.587 HG22 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.44 HG22 HG12 ' A' ' 68' ' ' VAL . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.501 HD21 ' HB1' ' A' ' 67' ' ' ALA . 77.2 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.615 ' HD2' ' H ' ' A' ' 2' ' ' TYR . 3.5 t80 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.615 ' H ' ' HD2' ' A' ' 1' ' ' TYR . 26.6 t80 74.78 -44.43 0.55 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.716 0.806 . . . . 0.0 112.048 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.401 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.528 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.776 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HA ' HD11 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.778 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.658 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.538 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.405 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.778 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.491 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.502 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.602 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.658 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt -55.59 109.47 0.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.4 ' H ' HD11 ' A' ' 142' ' ' LEU . 5.0 mp -76.4 98.94 4.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.56 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.98 95.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.964 0.79 . . . . 0.0 111.319 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -57.93 151.06 19.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.352 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -50.74 113.23 0.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.523 0.678 . . . . 0.0 110.786 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -111.69 100.0 8.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.603 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.97 89.99 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.753 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -125.91 2.62 7.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.234 0.54 . . . . 0.0 109.729 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.151 175.356 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.214 0.531 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 -136.87 145.05 43.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.687 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.65 HG12 HG21 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HZ3' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.578 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.54 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' CG ' ' HZ2' ' A' ' 128' ' ' LYS . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.486 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.454 ' CB ' ' HZ1' ' A' ' 128' ' ' LYS . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.622 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.513 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.531 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.431 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.457 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.524 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.524 ' OE2' ' HB ' ' A' ' 124' ' ' THR . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.431 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HZ1' ' CB ' ' A' ' 77' ' ' THR . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.519 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.563 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 28.2 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.563 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.622 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.65 HG21 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.687 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 74.6 mt -71.12 99.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 142' ' ' LEU . 2.6 pt? -70.1 170.29 11.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.415 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.76 76.72 5.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 0.0 111.642 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -97.19 12.04 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.449 ' HA ' ' O ' ' A' ' 149' ' ' HIS . 34.8 m80 -85.2 153.08 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.174 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -114.15 -51.95 2.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -128.46 -94.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.334 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -95.96 -7.13 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.449 ' O ' ' HA ' ' A' ' 145' ' ' HIS . 36.0 p-80 . . . . . 0 C--O 1.242 0.688 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.98 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.67 -54.35 34.68 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -171.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.471 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.489 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.479 ' HB3' HG22 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.596 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' A' ' 22' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.53 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.461 ' HE1' HG22 ' A' ' 52' ' ' THR . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.486 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' HE1' ' A' ' 32' ' ' MET . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.933 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.467 ' HB3' HG21 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.49 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.567 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.592 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.592 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.933 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.439 ' HB3' ' H ' ' A' ' 142' ' ' LEU . 0.5 OUTLIER -83.44 -90.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.871 ' HG ' ' H ' ' A' ' 143' ' ' GLU . 17.4 tp 57.15 -157.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -174.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.871 ' H ' ' HG ' ' A' ' 142' ' ' LEU . 43.0 mm-40 62.87 -167.39 0.21 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 111.992 173.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 70.83 -64.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.427 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -126.39 -13.31 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.656 0.265 . . . . 0.0 111.354 -174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.09 129.54 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.42 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -92.88 -165.83 1.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.453 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -84.66 24.39 1.03 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.473 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.841 0.353 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' ASP . 58.6 t80 -142.6 151.5 41.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' TYR . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.635 HE22 HG23 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.552 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 HD13 ' A' ' 10' ' ' LEU . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' A' ' 35' ' ' ASN . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 33' ' ' PRO . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.605 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.605 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.635 HG23 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.596 HD22 ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.693 HG13 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.661 ' HB ' ' HG ' ' A' ' 87' ' ' SER . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.661 ' HG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.452 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.549 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.656 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.712 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.47 HD21 ' N ' ' A' ' 117' ' ' ASN . 0.9 OUTLIER 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' HB2' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.515 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.541 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.477 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.693 HG12 HG13 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.596 ' HB ' HD22 ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.749 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt -92.0 129.24 38.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.09 175.86 10.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.703 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -57.09 129.46 41.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.29 0.567 . . . . 0.0 111.773 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -135.67 89.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.575 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -85.84 95.0 9.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -90.06 -70.5 0.66 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 148' ' ' HIS . 4.3 t-80 55.89 -97.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.799 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 147' ' ' HIS . 8.4 t60 167.01 -52.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.6 m80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.002 170.634 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.391 0.139 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.83 -55.5 31.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.764 -174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.511 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD13 HD23 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD23 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.507 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.647 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD12 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.768 HG22 HD12 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.468 ' HG2' HD12 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.586 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.406 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.452 HD21 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt -64.24 115.77 5.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.32 137.17 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.093 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.72 138.74 58.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.118 0.485 . . . . 0.0 110.975 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -141.96 -70.13 0.35 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.926 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 39.46 52.98 2.35 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.804 0.69 . . . . 0.0 111.985 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 147' ' ' HIS . 72.3 m-70 60.81 -96.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.222 -171.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 146' ' ' HIS . 7.9 p80 177.5 94.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 169.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -87.56 -16.3 35.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.33 0.586 . . . . 0.0 109.55 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.909 176.074 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -147.33 -65.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.47 ' HA3' HG13 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.563 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 t-20 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.451 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG23 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' THR . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.499 HG23 ' HE1' ' A' ' 58' ' ' MET . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 54' ' ' THR . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG22 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 109' ' ' ARG . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.505 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.5 HD11 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.5 HH12 HD11 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.489 HD21 ' HB1' ' A' ' 67' ' ' ALA . 80.1 mt -83.46 98.37 9.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.82 -3.51 54.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.588 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.53 99.42 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.631 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -92.13 3.65 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.443 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -135.71 150.61 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -93.12 102.72 15.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.239 0.542 . . . . 0.0 111.041 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -125.15 -3.2 7.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.411 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -79.56 108.78 13.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.817 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.843 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.361 0.6 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.577 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 -161.36 -67.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.253 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.449 ' HB3' HD12 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.492 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.698 HD22 ' HD2' ' A' ' 133' ' ' ARG . 14.6 t-20 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.744 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.549 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.53 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.739 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.744 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.542 ' HA ' HG23 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.549 HG12 ' HB ' ' A' ' 68' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.522 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.513 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.522 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.641 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.698 ' HD2' HD22 ' A' ' 31' ' ' ASN . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.577 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt -77.04 75.49 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.26 162.34 15.92 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 143' ' ' GLU . 10.5 pt-20 -61.82 110.28 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.559 0.695 . . . . 0.0 110.705 -178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -96.35 23.14 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -76.6 117.36 18.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.555 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -76.4 168.94 19.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.61 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.63 -173.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.588 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 80.4 m80 -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -167.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.588 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 26.0 t-80 . . . . . 0 C--O 1.243 0.752 0 C-N-CA 124.436 1.094 . . . . 0.0 109.069 169.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 -66.68 150.4 49.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.549 ' HE3' HG13 ' A' ' 28' ' ' ILE . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.698 ' HA ' ' HE3' ' A' ' 14' ' ' MET . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.552 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.549 HG13 ' HE3' ' A' ' 3' ' ' MET . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.704 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.545 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.525 ' H ' HG23 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.3 mm-40 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.639 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.639 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.466 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.652 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.652 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.697 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.704 ' NH2' ' HA ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.52 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.497 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.518 ' HD3' ' HE1' ' A' ' 3' ' ' MET . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt -68.97 103.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.26 168.87 19.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.615 -175.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.45 116.26 16.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.276 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -130.26 33.41 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.717 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -55.24 107.43 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.114 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 50.92 36.41 14.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.813 0.696 . . . . 0.0 112.118 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.66 141.19 36.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.065 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -74.65 166.75 23.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.219 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.97 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.662 0.268 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.94 -72.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 171.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.523 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.41 HD21 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.591 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD13 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.531 HG22 HD13 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.706 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.427 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.529 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.413 ' HB2' ' OD2' ' A' ' 104' ' ' ASP . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.416 ' HB2' HD11 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.587 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.492 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.492 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.497 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.474 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.87 99.47 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 158.95 15.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.066 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 145' ' ' HIS . 0.6 OUTLIER 66.38 -176.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.816 0.698 . . . . 0.0 110.254 178.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 70.31 -34.28 0.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.681 0.792 . . . . 0.0 111.609 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 143' ' ' GLU . 84.7 m-70 -102.33 99.66 9.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -61.38 -32.83 72.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.494 -173.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 41.55 85.25 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 113.143 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -176.91 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.162 0.506 . . . . 0.0 109.787 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.59 ' HH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 -143.83 -54.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.409 ' HE2' HG13 ' A' ' 28' ' ' ILE . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.593 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG23 HG23 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG23 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 HG13 ' HE2' ' A' ' 3' ' ' MET . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG2' HG12 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.42 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.59 ' HB3' ' HH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.538 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' HD2' ' HG3' ' A' ' 115' ' ' PRO . 45.0 m80 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.576 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.477 ' HG3' ' HD2' ' A' ' 80' ' ' HIS . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.657 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.493 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.471 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.493 ' HA2' ' HB1' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.657 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.413 HG13 HG22 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt -89.28 20.72 3.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.6 mt -55.01 -39.68 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -161.16 50.4 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 109.469 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.41 -17.02 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -144.32 106.29 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.373 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 147' ' ' HIS . 11.0 t-160 -120.69 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.793 0.33 . . . . 0.0 110.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 32.7 t-80 174.28 -33.57 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.256 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -164.34 144.56 7.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.788 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.051 175.002 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' HA ' ' CB ' ' A' ' 4' ' ' ASP . 81.9 t80 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.455 0.169 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' HH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -52.15 -47.9 65.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.716 -176.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 1' ' ' TYR . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.495 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 HD23 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.504 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.696 HD23 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.418 HD22 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG21 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HG3' ' HH ' ' A' ' 2' ' ' TYR . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' ' 139' ' ' SER . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.51 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.522 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 21.3 m-70 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.43 HH22 ' HB ' ' A' ' 74' ' ' THR . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.499 ' HA ' HG23 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.643 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.509 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.522 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.519 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.509 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.477 ' HG ' ' HB1' ' A' ' 67' ' ' ALA . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt -64.23 117.29 6.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.1 154.89 41.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.913 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.34 120.19 17.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -114.48 60.53 0.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.215 0.531 . . . . 0.0 109.699 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -130.28 -2.4 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.118 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -86.38 78.84 9.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.797 0.808 . . . . 0.0 112.567 -172.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -96.04 -36.53 10.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 167.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 57.31 -98.97 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.429 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.369 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.091 0.472 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 -170.78 163.17 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.51 ' HE2' HG13 ' A' ' 28' ' ' ILE . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG21 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HE3' HG21 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.615 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.615 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.51 HG13 ' HE2' ' A' ' 3' ' ' MET . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.555 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.416 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.555 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.48 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.825 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.527 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.835 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.692 HG21 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.429 ' O ' ' HG3' ' A' ' 84' ' ' MET . 39.8 m80 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 ' HB1' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.742 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.435 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.825 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.471 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.46 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 67' ' ' ALA . 42.8 mt -51.25 111.95 0.65 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.95 -179.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.526 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.64 52.8 0.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -172.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -93.51 -17.32 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -64.11 148.11 50.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.196 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -60.04 102.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 111.501 -170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.48 75.54 3.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 51.49 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.747 0.654 . . . . 0.0 111.958 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.213 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.411 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 77.97 -49.24 0.49 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.628 0.771 . . . . 0.0 110.661 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.432 ' HE1' HG23 ' A' ' 52' ' ' THR . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.695 HG21 HG22 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG13 HG22 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' HG12 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.523 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.695 HG22 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.419 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.525 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.488 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.43 HG22 ' HB1' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.877 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.567 HG22 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.46 75.64 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.0 pp -115.96 -3.51 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.64 111.44 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 50.2 m80 -142.02 22.02 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.995 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 55.1 m-70 72.43 -63.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.479 0.711 . . . . 0.0 111.705 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -115.74 157.75 23.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -131.35 -69.71 0.62 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.335 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 60.28 -90.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.612 -175.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.621 0.248 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -57.97 -58.78 6.92 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HE3' HG21 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA3' HG13 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.448 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.734 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.734 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG13 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.529 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.448 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.461 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.448 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.559 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.608 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.559 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.608 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt -78.12 45.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.8 mt 58.62 -171.82 0.11 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.102 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -83.17 105.57 14.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -124.04 27.82 7.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.032 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -62.67 -27.65 69.38 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -80.77 102.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -167.71 135.7 2.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.439 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.12 -18.04 14.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.276 0.56 . . . . 0.0 109.547 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.627 176.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.428 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 76.5 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG11 ' A' ' 5' ' ' VAL . 19.9 t80 -172.69 -67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.428 ' OD2' ' HA ' ' A' ' 1' ' ' TYR . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD11 HD22 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 HD11 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.599 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.409 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.891 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.891 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.452 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.458 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.458 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.47 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.542 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.599 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.519 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 67' ' ' ALA . 43.5 mt -85.23 93.04 8.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.54 -23.84 12.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.517 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.28 -55.52 24.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -93.99 105.89 17.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.479 ' CG ' ' H ' ' A' ' 146' ' ' HIS . 0.3 OUTLIER -145.52 -87.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 176.509 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.479 ' H ' ' CG ' ' A' ' 145' ' ' HIS . 99.1 m-70 -82.65 63.38 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 35.5 m80 58.47 -97.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.245 -171.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.06 79.41 1.91 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.364 0.602 . . . . 0.0 109.459 171.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 146' ' ' HIS . 9.5 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.664 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HH ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 t80 73.0 134.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.984 0.803 . . . . 0.0 109.509 -174.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.667 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.445 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.647 ' HG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 HG12 HG21 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.647 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.671 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 ' HE1' ' A' ' 14' ' ' MET . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.731 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.731 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' HA ' ' HH ' ' A' ' 2' ' ' TYR . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.513 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 ' HB ' HG22 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.513 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB1' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.505 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.505 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.671 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.529 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt -71.2 93.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.403 HD21 ' O ' ' A' ' 142' ' ' LEU . 2.5 tt -125.51 -34.76 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.135 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.557 ' HB2' ' HD2' ' A' ' 144' ' ' HIS . 27.6 mt-10 -54.11 -36.82 63.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.2 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.557 ' HD2' ' HB2' ' A' ' 143' ' ' GLU . 2.1 p80 -147.09 137.3 23.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.522 -174.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -131.56 106.85 8.46 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.863 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -77.85 -44.14 28.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -103.61 111.28 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.237 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 65.37 103.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.094 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 177.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER 167.97 123.79 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.025 174.222 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.516 ' HE3' HG13 ' A' ' 28' ' ' ILE . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' TYR . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.464 HE21 HG13 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.516 HG13 ' HE3' ' A' ' 3' ' ' MET . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.557 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG13 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.523 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.587 HG23 HG12 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.521 ' HG2' HD11 ' A' ' 119' ' ' ILE . 5.2 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.587 HG12 HG23 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.405 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.565 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.454 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.29 119.88 11.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.53 166.61 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.787 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.53 98.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.425 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -93.22 -43.43 8.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.409 ' HB3' ' H ' ' A' ' 146' ' ' HIS . 3.6 t-160 -163.2 -96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 145' ' ' HIS . 0.1 OUTLIER 164.54 -78.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.714 0.806 . . . . 0.0 108.876 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.87 152.43 50.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.972 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -112.63 -10.45 13.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 167.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 69.8 t60 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.958 171.862 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 74.44 -60.24 0.53 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.773 0.829 . . . . 0.0 111.255 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.531 ' HG3' HG13 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HB2' HD12 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HG2' HG21 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.43 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.483 ' O ' HG21 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' O ' HG21 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.525 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 5.7 m-20 -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 HG21 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.42 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.509 ' NH2' HD22 ' A' ' 69' ' ' ASN . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.587 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.413 HD21 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.607 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.607 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.408 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt -74.2 78.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pp -128.96 7.83 5.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.165 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.08 23.59 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.491 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -69.38 -51.18 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -99.46 121.11 40.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.065 0.46 . . . . 0.0 110.751 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -122.34 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.919 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -120.04 101.7 8.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -150.78 94.74 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.228 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.376 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.749 0.309 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 -132.82 -75.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.838 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.449 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.611 HE22 HG22 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.541 ' SD ' HG21 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.518 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.618 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.541 HG21 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.611 HG22 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.513 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.456 ' HG1' ' HA2' ' A' ' 114' ' ' GLY . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.464 ' HG3' ' HB2' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.587 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.587 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.427 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.427 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.492 ' HB3' ' HB1' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' HA2' ' HG1' ' A' ' 74' ' ' THR . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.482 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.414 ' HG2' HH21 ' A' ' 133' ' ' ARG . 8.6 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.482 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.51 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt -72.99 106.64 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.3 -44.73 6.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.93 -24.97 28.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -75.25 102.06 4.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.827 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -116.13 -23.03 8.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.107 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -65.35 117.28 7.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.449 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.8 29.93 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.089 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 73.12 -15.12 0.55 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.421 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.144 -179.656 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.417 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 21.3 t80 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.02 0.438 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.739 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 -143.2 -68.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.739 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD11 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB2' ' HG1' ' A' ' 17' ' ' THR . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.572 ' HG1' ' HB2' ' A' ' 14' ' ' MET . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 HG13 ' HE3' ' A' ' 3' ' ' MET . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' HE2' HG22 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' HB1' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.428 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.522 ' HG1' ' ND2' ' A' ' 83' ' ' ASN . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 76' ' ' SER . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.501 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' ND2' ' HG1' ' A' ' 74' ' ' THR . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.426 ' NE2' ' HG1' ' A' ' 54' ' ' THR . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.496 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.461 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.566 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.532 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 8.9 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.566 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.587 HG22 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.44 HG22 HG12 ' A' ' 68' ' ' VAL . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.501 HD21 ' HB1' ' A' ' 67' ' ' ALA . 77.2 mt -87.33 125.24 34.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 142' ' ' LEU . 2.5 pt? -102.89 174.13 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.569 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.4 94.44 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.472 . . . . 0.0 110.716 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -87.05 102.54 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.659 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -88.62 -179.11 5.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.439 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -85.76 91.75 8.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -107.78 -87.38 0.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.211 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 61.93 -73.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.62 0.575 . . . . 0.0 110.885 -174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 24.7 p80 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.534 175.797 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' OH ' ' HB2' ' A' ' 65' ' ' LYS . 26.6 t80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.804 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.804 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.793 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.696 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.53 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.53 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.546 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.793 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.513 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.61 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ASN . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.692 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HE3' HG13 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.472 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG13 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.612 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 84' ' ' MET . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.53 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.488 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.562 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.423 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.534 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.535 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.57 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 76.0 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.692 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' ALA . 74.6 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.492 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.633 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 137' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 19' ' ' VAL . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.451 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.492 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.601 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.949 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' HG23 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 60' ' ' LEU . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.624 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.624 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 109' ' ' ARG . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.949 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.645 HE22 HG21 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 23' ' ' ARG . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.576 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.645 HG21 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.565 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' ND2' ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 114' ' ' GLY . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.531 ' OG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.577 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.657 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.535 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.553 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.505 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.697 HG12 HG12 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.603 ' HB ' ' ND2' ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' HG12 ' A' ' 59' ' ' VAL . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.521 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG12 ' HG2' ' A' ' 6' ' ' GLN . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD11 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.466 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.789 HG22 HD11 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.419 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.476 ' HG2' HD11 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.411 HD13 HH21 ' A' ' 133' ' ' ARG . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.61 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 3.8 t30 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' HG21 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG21 ' HD2' ' A' ' 33' ' ' PRO . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 94' ' ' VAL . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.579 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 53' ' ' LEU . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 108' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.515 HD13 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.548 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.515 HH12 HD13 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 67' ' ' ALA . 80.1 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.452 ' HB3' HD11 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD13 HD21 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.516 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 23' ' ' ARG . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD21 HD13 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 3.8 t30 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.428 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' ' 33' ' ' PRO . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' THR . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.767 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 101' ' ' GLN . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.557 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.506 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.767 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.563 ' HA ' HG21 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.527 HG21 HG11 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' HD13 ' A' ' 99' ' ' ILE . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 54' ' ' THR . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HD2' HD11 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 103' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.652 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.652 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.525 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.527 HG11 HG21 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.568 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.582 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.713 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.717 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 83' ' ' ASN . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.676 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.57 ' HB3' HG21 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.5 mm100 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.564 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.657 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.717 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.522 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.411 HD12 ' HG3' ' A' ' 32' ' ' MET . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.517 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.54 ' HG3' HG12 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.554 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.595 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' NH2' ' A' ' 90' ' ' ARG . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG22 HD11 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.471 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HD12 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.501 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.501 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.523 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.496 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.506 ' OH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HA ' HG21 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.608 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.575 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.659 HG21 HG21 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB3' ' OH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 6.4 m-20 -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 112' ' ' GLY . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 107' ' ' ARG . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' MET . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.646 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.403 HG23 ' NH2' ' A' ' 133' ' ' ARG . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.476 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.646 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 111.716 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.518 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.501 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.431 HD21 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD11 HG22 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' HG ' ' A' ' 86' ' ' LEU . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.538 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.522 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.619 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.57 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.852 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.863 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.701 HG22 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 84' ' ' MET . 91.2 m-70 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG3' ' CB ' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.852 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.503 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' A' ' 67' ' ' ALA . 42.8 mt . . . . . 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.809 0.338 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.63 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.694 HG21 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 79' ' ' GLY . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.576 HG23 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE3' HG22 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.587 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.742 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.587 HG11 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 107' ' ' ARG . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG21 HG11 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.48 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.593 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.618 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.571 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.618 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.555 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 5' ' ' VAL . 19.9 t80 . . . . . 0 C--O 1.228 -0.078 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 63' ' ' TYR . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.581 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.609 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.92 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.92 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.47 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' HB2' HE21 ' A' ' 6' ' ' GLN . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.496 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.423 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.534 ' HD2' ' H ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.496 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.55 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.472 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.609 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.572 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 67' ' ' ALA . 43.5 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.671 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.461 HG12 HG23 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.665 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 46' ' ' LYS . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 94' ' ' VAL . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.751 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.751 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.521 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 111' ' ' GLN . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.632 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' HG21 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.443 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.521 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HB2' HD12 ' A' ' 71' ' ' ILE . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.513 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.51 HE21 HG12 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG12 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.43 ' HA ' HG13 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.531 ' HG2' HD11 ' A' ' 119' ' ' ILE . 22.4 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 135' ' ' GLU . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 16.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.529 0.204 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' HB2' HD13 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.748 HD13 HD21 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.748 HD21 HD13 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG2' HG22 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.454 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.475 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 57' ' ' ALA . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 128' ' ' LYS . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.62 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.674 HG23 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 . . . . . 0 C--O 1.225 -0.2 0 CA-C-O 120.693 0.282 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.636 HE22 HG21 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.542 ' SD ' HG23 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.542 HG23 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.636 HG21 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.402 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.492 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HG2' HH21 ' A' ' 133' ' ' ARG . 51.2 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.76 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.667 0.27 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.76 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 28' ' ' ILE . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HD13 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLY . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.438 ' H ' ' HA2' ' A' ' 114' ' ' GLY . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' A' ' 128' ' ' LYS . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 90' ' ' ARG . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' HA2' ' H ' ' A' ' 74' ' ' THR . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 113' ' ' LEU . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.439 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HB3' ' ND2' ' A' ' 122' ' ' ASN . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.574 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 118' ' ' PRO . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 52.0 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.592 HG21 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 67' ' ' ALA . 77.2 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.655 ' HD2' ' H ' ' A' ' 2' ' ' TYR . 3.5 t80 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.655 ' H ' ' HD2' ' A' ' 1' ' ' TYR . 26.6 t80 74.78 -44.43 0.55 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.716 0.806 . . . . 0.0 112.048 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.804 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.804 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.793 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.696 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.53 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.53 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.546 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.793 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.513 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.61 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ASN . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt -55.59 109.47 0.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 142' ' ' LEU . 5.0 mp -76.4 98.94 4.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.56 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.98 95.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.964 0.79 . . . . 0.0 111.319 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -57.93 151.06 19.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.352 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -50.74 113.23 0.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.523 0.678 . . . . 0.0 110.786 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -111.69 100.0 8.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.603 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.97 89.99 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.753 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -125.91 2.62 7.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.234 0.54 . . . . 0.0 109.729 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.151 175.356 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.214 0.531 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 -136.87 145.05 43.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.692 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HE3' HG13 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.472 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG13 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.612 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 84' ' ' MET . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.53 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.488 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.562 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.423 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.534 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.535 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.57 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 76.0 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.692 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' ALA . 74.6 mt -71.12 99.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 142' ' ' LEU . 2.6 pt? -70.1 170.29 11.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.415 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.76 76.72 5.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 0.0 111.642 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -97.19 12.04 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 149' ' ' HIS . 34.8 m80 -85.2 153.08 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.174 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -114.15 -51.95 2.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -128.46 -94.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.334 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -95.96 -7.13 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 145' ' ' HIS . 36.0 p-80 . . . . . 0 C--O 1.242 0.688 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.98 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.67 -54.35 34.68 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -171.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 1' ' ' TYR . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.492 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.633 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 137' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 19' ' ' VAL . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.451 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.492 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.601 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.949 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' HG23 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 60' ' ' LEU . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.624 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.624 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 109' ' ' ARG . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.949 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -90.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.885 ' HG ' ' H ' ' A' ' 143' ' ' GLU . 17.4 tp 57.15 -157.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -174.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.885 ' H ' ' HG ' ' A' ' 142' ' ' LEU . 43.0 mm-40 62.87 -167.39 0.21 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 111.992 173.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 70.83 -64.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.427 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -126.39 -13.31 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.656 0.265 . . . . 0.0 111.354 -174.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.09 129.54 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.42 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -92.88 -165.83 1.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.453 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -84.66 24.39 1.03 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.473 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.841 0.353 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -142.6 151.5 41.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.645 HE22 HG21 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 23' ' ' ARG . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.576 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.645 HG21 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.565 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' ND2' ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 114' ' ' GLY . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.531 ' OG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.577 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.657 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.535 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.553 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.505 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.697 HG12 HG12 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.603 ' HB ' ' ND2' ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt -92.0 129.24 38.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.09 175.86 10.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.703 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -57.09 129.46 41.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.29 0.567 . . . . 0.0 111.773 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -135.67 89.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.575 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -85.84 95.0 9.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -90.06 -70.5 0.66 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.568 ' O ' ' HB2' ' A' ' 148' ' ' HIS . 4.3 t-80 55.89 -97.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.799 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' HIS . 8.4 t60 167.01 -52.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.6 m80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.002 170.634 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.391 0.139 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.83 -55.5 31.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.764 -174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' HG12 ' A' ' 59' ' ' VAL . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.521 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG12 ' HG2' ' A' ' 6' ' ' GLN . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD11 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.466 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.789 HG22 HD11 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.419 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.476 ' HG2' HD11 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.411 HD13 HH21 ' A' ' 133' ' ' ARG . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.61 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt -64.24 115.77 5.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.32 137.17 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.093 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.72 138.74 58.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.118 0.485 . . . . 0.0 110.975 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -141.96 -70.13 0.35 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.926 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 39.46 52.98 2.35 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.804 0.69 . . . . 0.0 111.985 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 147' ' ' HIS . 72.3 m-70 60.81 -96.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.222 -171.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 146' ' ' HIS . 7.9 p80 177.5 94.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 169.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -87.56 -16.3 35.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.33 0.586 . . . . 0.0 109.55 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.909 176.074 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -147.33 -65.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 3.8 t30 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' HG21 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG21 ' HD2' ' A' ' 33' ' ' PRO . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 94' ' ' VAL . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.579 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 53' ' ' LEU . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 108' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.515 HD13 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.548 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.515 HH12 HD13 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 67' ' ' ALA . 80.1 mt -83.46 98.37 9.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.82 -3.51 54.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.588 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.53 99.42 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.631 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -92.13 3.65 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.443 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -135.71 150.61 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -93.12 102.72 15.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.239 0.542 . . . . 0.0 111.041 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -125.15 -3.2 7.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.411 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -79.56 108.78 13.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.817 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.843 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.361 0.6 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 -161.36 -67.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.253 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.452 ' HB3' HD11 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD13 HD21 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.516 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 23' ' ' ARG . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD21 HD13 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 3.8 t30 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.428 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' ' 33' ' ' PRO . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' THR . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.767 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 101' ' ' GLN . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.557 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.506 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.767 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.563 ' HA ' HG21 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.527 HG21 HG11 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' HD13 ' A' ' 99' ' ' ILE . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 54' ' ' THR . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HD2' HD11 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 103' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.652 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.652 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.525 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.527 HG11 HG21 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.568 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt -77.04 75.49 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.26 162.34 15.92 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 143' ' ' GLU . 10.5 pt-20 -61.82 110.28 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.559 0.695 . . . . 0.0 110.705 -178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -96.35 23.14 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -76.6 117.36 18.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.555 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -76.4 168.94 19.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.61 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.63 -173.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 80.4 m80 -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -167.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 26.0 t-80 . . . . . 0 C--O 1.243 0.752 0 C-N-CA 124.436 1.094 . . . . 0.0 109.069 169.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 -66.68 150.4 49.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.582 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.713 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.717 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 83' ' ' ASN . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.676 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' HB3' HG21 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.5 mm100 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.564 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.657 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.717 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.522 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.411 HD12 ' HG3' ' A' ' 32' ' ' MET . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.517 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt -68.97 103.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 142' ' ' LEU . 2.8 pp -77.26 168.87 19.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.615 -175.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.45 116.26 16.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.276 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -130.26 33.41 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.717 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.24 107.43 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.114 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 50.92 36.41 14.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.813 0.696 . . . . 0.0 112.118 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.66 141.19 36.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.065 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -74.65 166.75 23.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.219 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.97 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.662 0.268 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.94 -72.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 171.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.54 ' HG3' HG12 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.554 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.595 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' NH2' ' A' ' 90' ' ' ARG . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG22 HD11 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.471 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HD12 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.501 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.523 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.496 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.87 99.47 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 158.95 15.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.066 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.417 ' C ' ' H ' ' A' ' 145' ' ' HIS . 0.6 OUTLIER 66.38 -176.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.816 0.698 . . . . 0.0 110.254 178.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 70.31 -34.28 0.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.681 0.792 . . . . 0.0 111.609 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 143' ' ' GLU . 84.7 m-70 -102.33 99.66 9.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -61.38 -32.83 72.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.494 -173.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 41.55 85.25 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 113.143 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -176.91 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.162 0.506 . . . . 0.0 109.787 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.506 ' OH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 -143.83 -54.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HA ' HG21 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.608 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.575 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.659 HG21 HG21 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB3' ' OH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 6.4 m-20 -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 112' ' ' GLY . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 107' ' ' ARG . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' MET . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.646 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.403 HG23 ' NH2' ' A' ' 133' ' ' ARG . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.476 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.646 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt -89.28 20.72 3.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.6 mt -55.01 -39.68 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -161.16 50.4 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 109.469 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.41 -17.02 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -144.32 106.29 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.373 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 147' ' ' HIS . 11.0 t-160 -120.69 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.793 0.33 . . . . 0.0 110.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 32.7 t-80 174.28 -33.57 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.256 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -164.34 144.56 7.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.788 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.051 175.002 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' ASP . 81.9 t80 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.455 0.169 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -52.15 -47.9 65.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.716 -176.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 1' ' ' TYR . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.518 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.431 HD21 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD11 HG22 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' HG ' ' A' ' 86' ' ' LEU . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.538 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.522 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt -64.23 117.29 6.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.1 154.89 41.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.913 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.34 120.19 17.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -114.48 60.53 0.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.215 0.531 . . . . 0.0 109.699 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -130.28 -2.4 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.118 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -86.38 78.84 9.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.797 0.808 . . . . 0.0 112.567 -172.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -96.04 -36.53 10.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 167.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 57.31 -98.97 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.429 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.369 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.091 0.472 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 -170.78 163.17 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.619 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.57 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.852 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.863 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.701 HG22 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 84' ' ' MET . 91.2 m-70 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG3' ' CB ' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.852 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.503 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' A' ' 67' ' ' ALA . 42.8 mt -51.25 111.95 0.65 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.95 -179.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.526 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.64 52.8 0.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -172.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -93.51 -17.32 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -64.11 148.11 50.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.196 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -60.04 102.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 111.501 -170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.48 75.54 3.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 51.49 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.747 0.654 . . . . 0.0 111.958 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.213 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 77.97 -49.24 0.49 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.628 0.771 . . . . 0.0 110.661 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.63 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.694 HG21 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 79' ' ' GLY . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.576 HG23 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.46 75.64 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.0 pp -115.96 -3.51 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.64 111.44 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 50.2 m80 -142.02 22.02 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.995 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 55.1 m-70 72.43 -63.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.479 0.711 . . . . 0.0 111.705 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -115.74 157.75 23.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -131.35 -69.71 0.62 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.335 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 60.28 -90.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.612 -175.088 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.621 0.248 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -57.97 -58.78 6.92 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE3' HG22 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.587 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.742 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.587 HG11 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 107' ' ' ARG . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG21 HG11 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.48 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.593 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.618 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.571 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.618 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.555 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt -78.12 45.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.8 mt 58.62 -171.82 0.11 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.102 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -83.17 105.57 14.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -124.04 27.82 7.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.032 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -62.67 -27.65 69.38 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -80.77 102.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -167.71 135.7 2.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.439 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.12 -18.04 14.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.276 0.56 . . . . 0.0 109.547 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.627 176.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.436 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 76.5 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 5' ' ' VAL . 19.9 t80 -172.69 -67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' OD2' ' HA ' ' A' ' 1' ' ' TYR . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 63' ' ' TYR . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.581 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.609 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.92 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.92 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.47 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' HB2' HE21 ' A' ' 6' ' ' GLN . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.496 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.423 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.534 ' HD2' ' H ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.496 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.55 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.472 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.609 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.572 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 67' ' ' ALA . 43.5 mt -85.23 93.04 8.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.54 -23.84 12.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.517 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.28 -55.52 24.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -93.99 105.89 17.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.443 ' CG ' ' H ' ' A' ' 146' ' ' HIS . 0.3 OUTLIER -145.52 -87.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 176.509 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 149' ' ' HIS . 99.1 m-70 -82.65 63.38 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 35.5 m80 58.47 -97.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.245 -171.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.06 79.41 1.91 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.364 0.602 . . . . 0.0 109.459 171.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' A' ' 146' ' ' HIS . 9.5 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.664 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 t80 73.0 134.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.984 0.803 . . . . 0.0 109.509 -174.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.671 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.461 HG12 HG23 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.665 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 46' ' ' LYS . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 94' ' ' VAL . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.751 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.751 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.521 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 111' ' ' GLN . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.632 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' HG21 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.443 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.521 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HB2' HD12 ' A' ' 71' ' ' ILE . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.513 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt -71.2 93.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 142' ' ' LEU . 2.5 tt -125.51 -34.76 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.135 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.11 -36.82 63.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.2 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -147.09 137.3 23.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.522 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -131.56 106.85 8.46 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.863 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -77.85 -44.14 28.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -103.61 111.28 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.237 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 65.37 103.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.094 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 177.533 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER 167.97 123.79 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.025 174.222 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.51 HE21 HG12 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG12 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.43 ' HA ' HG13 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.531 ' HG2' HD11 ' A' ' 119' ' ' ILE . 22.4 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 135' ' ' GLU . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 16.9 mt -65.29 119.88 11.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.53 166.61 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.787 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.53 98.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.425 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -93.22 -43.43 8.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -163.2 -96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 164.54 -78.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.714 0.806 . . . . 0.0 108.876 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.87 152.43 50.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.972 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -112.63 -10.45 13.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 167.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 69.8 t60 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.958 171.862 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 74.44 -60.24 0.53 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.773 0.829 . . . . 0.0 111.255 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' HB2' HD13 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.748 HD13 HD21 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.748 HD21 HD13 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG2' HG22 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.454 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.475 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 57' ' ' ALA . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 128' ' ' LYS . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.62 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.674 HG23 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt -74.2 78.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pp -128.96 7.83 5.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.165 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.08 23.59 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.491 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -69.38 -51.18 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -99.46 121.11 40.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.065 0.46 . . . . 0.0 110.751 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -122.34 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.919 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -120.04 101.7 8.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -150.78 94.74 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.228 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.376 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.749 0.309 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 -132.82 -75.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.838 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.636 HE22 HG21 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.542 ' SD ' HG23 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.542 HG23 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.636 HG21 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.402 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.492 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HG2' HH21 ' A' ' 133' ' ' ARG . 51.2 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt -72.99 106.64 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.3 -44.73 6.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.93 -24.97 28.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -75.25 102.06 4.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.827 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -116.13 -23.03 8.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.107 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -65.35 117.28 7.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.449 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.8 29.93 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.089 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 73.12 -15.12 0.55 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.421 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.144 -179.656 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.417 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 21.3 t80 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.02 0.438 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.76 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 -143.2 -68.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.76 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 28' ' ' ILE . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HD13 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLY . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.438 ' H ' ' HA2' ' A' ' 114' ' ' GLY . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' A' ' 128' ' ' LYS . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 90' ' ' ARG . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' HA2' ' H ' ' A' ' 74' ' ' THR . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 113' ' ' LEU . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.439 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HB3' ' ND2' ' A' ' 122' ' ' ASN . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.574 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 118' ' ' PRO . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 52.0 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.592 HG21 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 67' ' ' ALA . 77.2 mt -87.33 125.24 34.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.769 HD23 ' H ' ' A' ' 142' ' ' LEU . 2.5 pt? -102.89 174.13 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.569 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.4 94.44 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.472 . . . . 0.0 110.716 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -87.05 102.54 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.659 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -88.62 -179.11 5.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.439 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -85.76 91.75 8.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -107.78 -87.38 0.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.211 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 61.93 -73.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.62 0.575 . . . . 0.0 110.885 -174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 24.7 p80 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.534 175.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' OH ' ' HB2' ' A' ' 65' ' ' LYS . 26.6 t80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.804 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.804 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.793 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.696 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.53 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.53 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.546 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.793 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.513 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.61 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ASN . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.692 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HE3' HG13 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.472 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG13 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.612 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 84' ' ' MET . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.53 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.488 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.562 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.423 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.534 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.535 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.57 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 28.2 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.692 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' ALA . 74.6 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.492 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.633 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 137' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 19' ' ' VAL . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.451 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.492 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.601 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.949 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' HG23 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 60' ' ' LEU . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.624 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.624 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 109' ' ' ARG . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.949 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.645 HE22 HG21 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 23' ' ' ARG . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.576 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.645 HG21 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.565 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' ND2' ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 114' ' ' GLY . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.531 ' OG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.577 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.657 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 117' ' ' ASN . 0.9 OUTLIER 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.535 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.553 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.505 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.697 HG12 HG12 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.603 ' HB ' ' ND2' ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.888 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' HG12 ' A' ' 59' ' ' VAL . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.521 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG12 ' HG2' ' A' ' 6' ' ' GLN . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD11 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.466 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.789 HG22 HD11 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.419 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.476 ' HG2' HD11 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.411 HD13 HH21 ' A' ' 133' ' ' ARG . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.61 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.496 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 t-20 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' HG21 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG21 ' HD2' ' A' ' 33' ' ' PRO . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 94' ' ' VAL . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.579 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 53' ' ' LEU . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 108' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.515 HD13 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.548 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.515 HH12 HD13 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 67' ' ' ALA . 80.1 mt . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.452 ' HB3' HD11 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD13 HD21 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.516 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 23' ' ' ARG . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD21 HD13 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.732 HD21 ' HD2' ' A' ' 133' ' ' ARG . 14.6 t-20 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.428 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' ' 33' ' ' PRO . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' THR . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.767 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.5 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 101' ' ' GLN . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.557 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.506 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.781 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.767 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.563 ' HA ' HG21 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.527 HG21 HG11 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' HD13 ' A' ' 99' ' ' ILE . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 54' ' ' THR . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HD2' HD11 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 103' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.652 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.652 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.525 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.732 ' HD2' HD21 ' A' ' 31' ' ' ASN . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.527 HG11 HG21 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.568 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.582 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.713 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.717 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 83' ' ' ASN . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.676 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.57 ' HB3' HG21 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.3 mm-40 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.564 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.657 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.717 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.522 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.411 HD12 ' HG3' ' A' ' 32' ' ' MET . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.517 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.54 ' HG3' HG12 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.554 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.595 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' NH2' ' A' ' 90' ' ' ARG . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG22 HD11 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.471 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HD12 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.501 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.501 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.523 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.496 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.506 ' OH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HA ' HG21 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.608 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.575 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.659 HG21 HG21 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB3' ' OH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 115' ' ' PRO . 45.0 m80 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 112' ' ' GLY . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 107' ' ' ARG . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' MET . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HG3' ' HD2' ' A' ' 80' ' ' HIS . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.646 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.403 HG23 ' NH2' ' A' ' 133' ' ' ARG . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.476 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.646 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 111.716 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.518 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.501 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.431 HD21 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.411 HD22 HG13 ' A' ' 36' ' ' VAL . 8.0 t30 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG13 HD22 ' A' ' 35' ' ' ASN . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD11 HG22 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 21.3 m-70 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' HG ' ' A' ' 86' ' ' LEU . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.538 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.522 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.619 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.57 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.852 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.863 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.701 HG22 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 84' ' ' MET . 39.8 m80 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG3' ' CB ' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.852 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.503 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' A' ' 67' ' ' ALA . 42.8 mt . . . . . 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.809 0.338 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.63 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.694 HG21 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 79' ' ' GLY . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.576 HG23 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE3' HG22 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.587 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.742 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.742 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' N ' HD22 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.587 HG11 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 107' ' ' ARG . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG21 HG11 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.48 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.593 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.618 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.413 HD22 ' HB3' ' A' ' 118' ' ' PRO . 8.5 m-80 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.571 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.618 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.555 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 5' ' ' VAL . 19.9 t80 . . . . . 0 C--O 1.228 -0.078 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 63' ' ' TYR . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.581 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.609 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.92 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.92 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.47 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' HB2' HE21 ' A' ' 6' ' ' GLN . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.496 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.423 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.534 ' HD2' ' H ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.496 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.55 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.472 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.609 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.572 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 67' ' ' ALA . 43.5 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.671 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.461 HG12 HG23 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.665 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 46' ' ' LYS . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 94' ' ' VAL . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.751 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.751 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.521 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 111' ' ' GLN . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.632 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' HG21 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.443 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.521 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HB2' HD12 ' A' ' 71' ' ' ILE . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.513 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.51 HE21 HG12 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.51 HG12 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.43 ' HA ' HG13 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.531 ' HG2' HD11 ' A' ' 119' ' ' ILE . 5.2 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 135' ' ' GLU . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 16.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 120.529 0.204 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' HB2' HD13 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.748 HD13 HD21 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.748 HD21 HD13 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG2' HG22 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.554 HD21 ' NH2' ' A' ' 109' ' ' ARG . 5.7 m-20 -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.454 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.413 HE22 ' HB ' ' A' ' 110' ' ' THR . 23.3 tp60 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.475 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 57' ' ' ALA . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.554 ' NH2' HD21 ' A' ' 69' ' ' ASN . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.413 ' HB ' HE22 ' A' ' 88' ' ' GLN . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 128' ' ' LYS . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.62 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.674 HG23 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 . . . . . 0 C--O 1.225 -0.2 0 CA-C-O 120.693 0.282 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.636 HE22 HG21 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.542 ' SD ' HG23 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.542 HG23 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.636 HG21 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.402 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.492 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HG2' HH21 ' A' ' 133' ' ' ARG . 8.6 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.76 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.667 0.27 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.76 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 28' ' ' ILE . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HD13 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLY . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.438 ' H ' ' HA2' ' A' ' 114' ' ' GLY . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' A' ' 128' ' ' LYS . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 90' ' ' ARG . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' HA2' ' H ' ' A' ' 74' ' ' THR . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 113' ' ' LEU . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.439 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HB3' ' ND2' ' A' ' 122' ' ' ASN . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.574 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 118' ' ' PRO . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 8.9 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.592 HG21 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 67' ' ' ALA . 77.2 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.655 ' HD2' ' H ' ' A' ' 2' ' ' TYR . 3.5 t80 . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.655 ' H ' ' HD2' ' A' ' 1' ' ' TYR . 26.6 t80 74.78 -44.43 0.55 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.716 0.806 . . . . 0.0 112.048 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 6' ' ' GLN . 49.1 mtt -99.19 -5.19 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.072 -0.392 . . . . 0.0 111.934 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.74 -50.7 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.39 0.614 . . . . 0.0 110.471 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.2 -31.08 48.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.443 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' MET . 44.2 mt-30 -67.04 -41.06 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.88 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -59.44 -40.99 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.52 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.116 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.51 -46.38 76.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.899 0.38 . . . . 0.0 110.735 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 30' ' ' LEU . 93.8 mt -65.69 -39.18 91.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.026 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -65.5 -32.08 73.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.783 0.325 . . . . 0.0 110.957 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 30.8 t70 -77.59 -46.15 23.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.812 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.78 -30.49 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 0.0 111.313 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 mmt -97.71 24.77 6.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.36 . . . . 0.0 110.328 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 18.0 tpp180 -48.09 -42.22 28.32 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.792 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.29 41.84 0.7 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.311 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 p -90.61 -35.8 14.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.745 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.68 -8.0 11.0 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.798 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' MET . 82.1 t -82.94 131.09 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 23.8 m -93.48 114.79 27.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.287 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.76 98.72 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.29 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.1 m -104.24 101.01 10.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.804 ' HG2' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.17 109.22 18.74 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m -108.29 103.07 12.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -104.57 1.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.38 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.19 -30.88 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.775 0.321 . . . . 0.0 110.872 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -94.95 158.97 15.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.5 . . . . 0.0 111.115 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.804 HG12 ' HG2' ' A' ' 23' ' ' ARG . 59.9 mt -108.49 129.58 62.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.68 107.64 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 0.0 110.129 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 10' ' ' LEU . 96.2 mt -96.21 93.2 6.77 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.625 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' OD1' ' HB2' ' A' ' 20' ' ' SER . 5.4 p30 -95.5 125.6 40.22 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.479 0.656 . . . . 0.0 110.449 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.515 ' HG2' HG22 ' A' ' 19' ' ' VAL . 83.1 mtp -109.69 123.23 36.98 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.345 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.93 147.53 81.34 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.757 2.305 . . . . 0.0 111.94 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.2 OUTLIER -52.4 -39.68 61.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.706 -176.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -72.26 -32.05 66.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -83.73 -24.75 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.724 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -94.18 -45.36 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 44' ' ' THR . 54.6 m-85 -117.47 159.11 23.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -172.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -75.64 -77.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.011 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -95.82 -71.81 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.99 -173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 p -155.21 -42.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.962 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.5 m -61.52 157.72 16.56 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.376 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.86 95.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.351 0.596 . . . . 0.0 110.176 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 2.0 p -131.09 108.65 9.91 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.091 -177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.66 102.13 6.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.1 ptpt -76.01 154.71 84.76 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.991 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.1 -44.36 23.6 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.327 2.685 . . . . 0.0 113.162 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.72 -46.89 87.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -66.59 -44.04 90.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.995 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.4 82.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.45 . . . . 0.0 110.961 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -63.76 -44.65 92.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.937 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 m -68.89 -40.38 79.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.413 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 91.1 mt -61.79 -33.22 73.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.554 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 58' ' ' MET . 98.3 m -63.41 -42.39 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.342 175.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.46 -42.48 99.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.009 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.9 t -61.25 -46.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.0 0.428 . . . . 0.0 110.012 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.05 75.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.34 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.2 mtp -61.06 -45.46 94.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.553 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 t -66.74 -34.44 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.211 0.529 . . . . 0.0 110.268 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 91.8 mt -68.21 -20.48 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.902 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.53 -33.73 21.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.261 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 58' ' ' MET . 41.7 mt-10 -65.43 -36.3 83.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.484 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.82 97.21 19.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.458 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 83.7 Cg_endo -81.57 1.21 9.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.141 2.561 . . . . 0.0 114.143 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' A' ' 141' ' ' LEU . 3.5 mppt? -93.83 27.34 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.326 0.584 . . . . 0.0 110.591 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.6 p -103.43 132.37 49.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.208 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -94.92 118.71 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 108' ' ' ILE . 25.6 t -96.0 95.37 4.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.779 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.42 105.58 17.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 109.96 174.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.92 99.95 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.79 116.91 51.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.79 129.49 9.92 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.863 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.793 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 97.1 m-85 -112.49 154.14 26.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.601 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 9.4 t -171.42 148.31 2.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 111.677 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.696 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 0.8 OUTLIER -64.43 149.92 47.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.456 170.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.506 ' HB3' ' HB3' ' A' ' 115' ' ' PRO . 5.3 p -110.32 19.97 18.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.4 m -75.92 102.33 5.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.42 -41.75 1.22 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.584 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.33 96.86 0.1 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -53.15 -27.76 22.71 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -171.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 17.5 m-20 -76.7 -43.36 37.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.563 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.57 -39.51 91.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.348 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -67.01 -32.62 73.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.303 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mmt -62.98 -41.64 99.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.666 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.3 mtp-105 -58.93 -50.2 74.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.116 176.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.81 -38.1 89.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.736 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.6 t -57.83 -51.15 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.51 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -70.18 -40.28 74.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.477 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.69 -49.21 71.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.778 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -62.28 -43.0 99.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.342 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.09 98.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.111 0.481 . . . . 0.0 110.71 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.61 -37.09 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.333 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.9 m -61.24 -43.09 99.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.772 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 72.4 t -65.73 -45.85 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.429 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.52 -51.11 70.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 p -61.49 -35.97 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.97 98.56 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 94.9 mt -64.08 -51.14 65.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.504 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 67.6 mt -56.51 -42.82 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.114 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.6 m -59.18 -40.49 85.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.458 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -75.5 -26.94 58.57 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.318 -176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.67 15.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.243 -0.979 . . . . 0.0 113.834 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 40.0 t -87.79 138.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 117.391 0.596 . . . . 0.0 110.085 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.53 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 4.5 m-20 -61.81 129.69 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.773 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.88 -24.09 64.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.078 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 m -80.24 -11.24 59.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.317 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.53 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 54.7 mtp180 -97.98 0.55 46.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.703 0.287 . . . . 0.0 110.924 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 68' ' ' VAL . 57.6 mt -118.63 137.66 51.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.121 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -134.02 142.35 47.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.814 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 p -113.54 123.82 50.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.546 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 0.7 OUTLIER -127.89 115.8 19.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.38 98.46 1.64 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.597 171.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 111' ' ' GLN . 4.5 mm? -117.1 33.1 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.77 0.319 . . . . 0.0 110.264 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.793 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -51.1 -75.11 0.23 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.47 -0.787 . . . . 0.0 114.01 -177.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' A' ' 76' ' ' SER . 72.6 Cg_endo -78.44 34.77 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.622 2.214 . . . . 0.0 112.984 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.53 -62.51 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.104 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.95 102.79 55.13 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.656 0.265 . . . . 0.0 111.039 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.14 114.21 3.96 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.698 2.265 . . . . 0.0 111.75 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -25.05 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.663 0.744 . . . . 0.0 110.014 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.1 178.45 7.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.694 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.6 m -64.22 142.61 58.35 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.29 0.369 . . . . 0.0 111.063 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -101.46 -17.41 16.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.761 0.315 . . . . 0.0 111.244 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.1 t -75.17 -36.95 61.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.7 p -91.37 146.32 23.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.513 ' HA ' ' HE2' ' A' ' 128' ' ' LYS . . . -66.66 -27.55 67.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.992 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.85 -53.48 57.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.349 0.595 . . . . 0.0 110.133 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -72.0 -35.72 61.16 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.873 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 125' ' ' ALA . 39.5 ttpt -55.52 -41.59 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.381 . . . . 0.0 110.721 177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.8 -40.1 79.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.027 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.61 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.6 mt-30 -68.22 -34.45 76.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.118 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.26 -31.29 71.52 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.53 0.205 . . . . 0.0 111.429 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.696 ' HE ' ' HB3' ' A' ' 75' ' ' ASP . 95.4 mtt180 -77.43 93.31 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 0.0 109.859 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.0 ptm85 -155.36 168.6 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.13 -170.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 66.9 t -127.04 117.51 47.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' ASN . 21.4 mt-10 -113.78 115.32 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.214 0.53 . . . . 0.0 110.823 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.8 mt -87.42 109.11 18.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.485 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 31.4 m -89.96 102.9 15.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.56 105.54 17.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.102 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.7 m -116.4 151.8 47.33 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.24 140.6 59.51 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.126 1.884 . . . . 0.0 111.038 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.541 HD23 ' HB2' ' A' ' 67' ' ' ALA . 57.1 mt -55.59 109.47 0.56 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.975 0.417 . . . . 0.0 111.565 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 142' ' ' LEU . 5.0 mp -76.4 98.94 4.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.56 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 58.98 95.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.964 0.79 . . . . 0.0 111.319 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -57.93 151.06 19.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.352 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -50.74 113.23 0.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.523 0.678 . . . . 0.0 110.786 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -111.69 100.0 8.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.603 -173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.97 89.99 2.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.753 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -125.91 2.62 7.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.234 0.54 . . . . 0.0 109.729 171.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.151 175.356 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.214 0.531 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' MET . 4.7 m-85 -136.87 145.05 43.93 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.692 ' SD ' ' HG3' ' A' ' 140' ' ' PRO . 0.7 OUTLIER 74.03 -55.64 0.66 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.975 0.797 . . . . 0.0 110.366 -174.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 4.6 p30 -62.68 -56.93 13.15 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.22 -27.01 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.328 0.585 . . . . 0.0 110.242 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -73.12 -48.37 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.435 -177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 13.6 pt-20 -64.88 -34.1 77.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.475 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.68 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.379 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HE3' HG13 ' A' ' 59' ' ' VAL . 23.1 mtpp -63.55 -38.37 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.176 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.02 -43.88 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 111.238 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -65.54 -35.47 80.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.603 0.24 . . . . 0.0 110.902 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 20.0 t70 -75.05 -28.04 60.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.073 0.463 . . . . 0.0 110.453 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -83.91 -40.25 18.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.22 32.03 0.78 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.81 -177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 98.8 mtt180 -56.3 106.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.484 173.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.02 30.72 57.84 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 114.133 172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -88.97 7.19 35.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.178 0.489 . . . . 0.0 110.982 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.4 -22.67 12.07 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG22 ' SD ' ' A' ' 32' ' ' MET . 47.4 t -68.36 108.58 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.06 0.457 . . . . 0.0 110.048 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.3 m -86.66 106.88 17.91 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.138 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.3 t -84.48 102.43 10.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -113.44 125.56 54.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.169 0.509 . . . . 0.0 110.943 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -88.52 121.1 30.54 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.7 t -131.72 85.16 2.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 56.19 76.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.919 177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 7.6 m-20 74.03 -44.44 0.57 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.522 0.729 . . . . 0.0 111.984 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -69.41 124.37 23.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.058 0.456 . . . . 0.0 110.661 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.28 104.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.683 HG12 HG23 ' A' ' 137' ' ' THR . 55.7 mt -100.7 109.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.035 0.445 . . . . 0.0 110.986 -174.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.0 mp -88.11 99.96 12.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 4.3 m120 -77.14 104.54 7.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.597 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.472 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 80.3 mmm -95.62 113.64 62.29 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.16 142.9 88.68 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.527 2.152 . . . . 0.0 110.84 172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -64.05 -26.47 68.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.587 0.232 . . . . 0.0 111.261 -175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -82.75 -14.86 53.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -103.46 -24.52 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.8 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 32' ' ' MET . 4.2 m -90.05 -47.93 7.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.207 0.527 . . . . 0.0 110.764 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' HE2' HG21 ' A' ' 134' ' ' VAL . 90.4 m-85 -122.22 -177.87 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.471 -176.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.97 173.04 5.78 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.384 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.6 m -63.37 -22.66 67.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.274 0.559 . . . . 0.0 110.178 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -86.91 -6.28 58.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.289 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 38' ' ' PHE . 87.6 p 56.06 -173.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.36 1.064 . . . . 0.0 111.786 -175.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.01 -49.99 0.68 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.554 0.742 . . . . 0.0 111.657 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -80.35 111.86 17.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.512 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.35 128.24 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.715 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -89.92 144.68 31.85 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.04 -49.02 7.33 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.473 2.782 . . . . 0.0 113.633 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.39 86.07 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -67.38 -39.98 91.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.062 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.51 93.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.652 0.263 . . . . 0.0 110.875 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.991 0.424 . . . . 0.0 110.169 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.596 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 49' ' ' GLY . 87.7 mt -65.06 -29.72 70.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.7 m -63.33 -39.96 95.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.282 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.69 -38.8 94.9 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.608 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.99 -48.93 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.646 0.26 . . . . 0.0 110.373 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.18 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 49.2 ttm -60.35 -55.9 27.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.271 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG13 ' HE3' ' A' ' 9' ' ' LYS . 52.1 t -64.11 -36.76 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.675 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 138' ' ' LEU . 3.5 mm? -66.97 -25.14 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.553 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -88.29 -31.21 19.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.821 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 58' ' ' MET . 45.5 mt-10 -58.91 -43.55 91.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.905 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.85 88.25 53.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.212 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -88.4 33.4 0.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 123.528 2.818 . . . . 0.0 113.214 -172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 39.8 mmtm -101.62 17.63 22.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.128 0.489 . . . . 0.0 110.824 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 p -121.02 135.01 55.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.025 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -87.26 128.99 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.627 176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.03 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.612 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 46.0 m-80 -90.82 98.58 11.86 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.23 107.74 20.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.473 0.654 . . . . 0.0 109.866 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 ' HB3' ' A' ' 111' ' ' GLN . 29.5 mt -113.68 128.58 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.985 -174.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.01 131.78 10.75 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.146 -0.549 . . . . 0.0 112.366 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' HB2' ' HG2' ' A' ' 133' ' ' ARG . 60.0 m-85 -121.26 156.85 31.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.644 0.259 . . . . 0.0 110.701 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.4 p -143.35 -174.26 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.603 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.89 -157.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 122' ' ' ASN . 8.2 t -102.7 10.31 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 m -90.58 126.27 35.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.154 0.502 . . . . 0.0 111.34 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.76 -159.16 13.97 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 175.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.49 153.84 19.67 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.637 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 84' ' ' MET . 41.2 p-80 -65.63 -34.5 78.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.601 0.2 . . . . 0.0 110.966 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 3.1 m-20 -60.34 -54.3 47.33 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.215 0.531 . . . . 0.0 109.643 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.9 mt -57.28 -47.61 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.216 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -62.08 -37.57 85.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.36 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 25.2 mmt -71.25 -55.76 7.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.6 ptm180 -62.07 -36.84 82.87 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.615 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.593 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 41.3 tp -66.74 -47.28 72.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 110.517 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.53 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 39.2 m -68.69 -33.55 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.267 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -65.51 -46.76 78.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.97 -25.11 66.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 99.8 mtt180 -63.08 -49.33 74.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.07 0.462 . . . . 0.0 110.095 173.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.41 -41.18 96.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.437 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.38 -43.05 98.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 p -68.4 -42.61 78.78 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.255 -0.178 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.488 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 95.9 t -61.03 -46.28 96.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.62 -48.65 80.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -58.57 -38.95 78.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.34 81.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 68.1 mt -64.02 -40.71 96.93 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.736 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 95' ' ' ALA . 79.5 mt -61.62 -25.83 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.568 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 42.7 m -62.1 -34.03 75.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -89.45 -6.8 56.18 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.528 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.79 9.45 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.812 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.62 134.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.2 0.5 . . . . 0.0 109.74 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.33 129.43 40.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.515 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.98 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.511 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.5 m -81.13 -1.57 44.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -105.77 -2.18 23.49 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.306 0.574 . . . . 0.0 110.106 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -112.65 126.26 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -102.61 111.91 24.43 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.4 p -92.64 116.29 28.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.414 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.562 ' HG3' ' HG ' ' A' ' 113' ' ' LEU . 6.3 tp-100 -122.87 121.02 35.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.184 0.516 . . . . 0.0 111.131 -177.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.26 86.73 0.44 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.395 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 89.3 mt -84.53 -33.22 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 74.94 -124.08 7.67 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.893 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -76.42 35.91 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.159 2.573 . . . . 0.0 113.227 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -108.25 151.75 25.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 54.59 71.0 1.43 Allowed Pre-proline 0 N--CA 1.468 0.428 0 O-C-N 123.526 0.516 . . . . 0.0 111.366 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.06 126.22 13.5 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.509 2.139 . . . . 0.0 111.871 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -93.53 -18.71 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.412 0.625 . . . . 0.0 109.61 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.423 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . . . -146.67 175.25 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.628 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' ' OG1' ' A' ' 124' ' ' THR . 18.2 t -55.48 139.13 44.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.525 ' HB3' ' HB2' ' A' ' 76' ' ' SER . 2.3 m-20 -81.25 -3.5 52.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.701 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.6 p -126.83 7.05 6.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.534 ' HB ' ' OE2' ' A' ' 126' ' ' GLU . 40.2 p -104.23 155.88 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.814 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.7 -51.44 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 1.0 OUTLIER -71.66 -30.77 66.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.819 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 120' ' ' ALA . . . -59.15 -49.65 76.24 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 28.0 mtpp -57.19 -48.55 78.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.643 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.535 ' HA ' HH21 ' A' ' 132' ' ' ARG . . . -58.47 -39.95 81.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.61 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.57 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 28.2 mt-30 -82.68 -29.42 29.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.653 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -74.9 -36.82 62.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.187 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.535 HH21 ' HA ' ' A' ' 129' ' ' ALA . 63.6 mtm180 -71.88 89.31 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 9.5 ptm85 -143.03 168.03 20.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.112 0.482 . . . . 0.0 111.661 -171.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 38' ' ' PHE . 95.3 t -137.31 119.19 18.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 127.21 55.87 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.229 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 45.4 mm -93.16 97.11 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.568 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.683 HG23 HG12 ' A' ' 29' ' ' ILE . 26.7 m -94.36 104.67 16.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.445 -177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 60' ' ' LEU . 82.9 mt -82.92 111.22 18.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.361 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 23.0 m -106.07 132.89 20.51 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.162 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.692 ' HG3' ' SD ' ' A' ' 3' ' ' MET . 23.2 Cg_exo -62.67 126.6 18.62 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.449 2.1 . . . . 0.0 111.419 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' ALA . 74.6 mt -71.12 99.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.953 0.406 . . . . 0.0 110.085 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 142' ' ' LEU . 2.6 pt? -70.1 170.29 11.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.415 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.76 76.72 5.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.583 0.706 . . . . 0.0 111.642 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -97.19 12.04 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 149' ' ' HIS . 34.8 m80 -85.2 153.08 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.174 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -114.15 -51.95 2.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.877 0.37 . . . . 0.0 111.068 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -128.46 -94.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.334 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -95.96 -7.13 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 145' ' ' HIS . 36.0 p-80 . . . . . 0 C--O 1.242 0.688 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.98 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.67 -54.35 34.68 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -171.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.4 ttt -92.37 -16.51 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.417 0.627 . . . . 0.0 110.038 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.57 -47.33 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.757 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 1' ' ' TYR . 10.2 p -72.16 -19.92 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.149 0.5 . . . . 0.0 110.309 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.492 HE22 HG21 ' A' ' 66' ' ' THR . 21.8 tt0 -64.14 -44.3 92.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.351 174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.89 -40.72 98.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.88 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.359 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -61.9 -42.23 98.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.998 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 30' ' ' LEU . 95.8 mt -67.33 -39.82 85.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.072 0.463 . . . . 0.0 110.549 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -67.79 -24.14 65.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.588 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -80.06 -30.71 39.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.328 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -91.08 -35.58 14.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -89.42 3.08 53.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -75.58 88.26 2.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.523 0.677 . . . . 0.0 111.019 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.45 -12.58 9.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.914 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 p -77.6 -31.44 53.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.42 -19.3 17.08 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 52' ' ' THR . 45.6 t -68.02 121.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 7.7 m -83.23 122.5 28.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.506 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.61 93.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 15.1 m -115.47 100.16 7.89 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.368 0.604 . . . . 0.0 110.007 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.633 ' HG3' HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -97.48 111.05 23.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -177.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -113.35 120.53 41.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.857 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.42 -117.47 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.646 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HA ' HH21 ' A' ' 23' ' ' ARG . 48.5 m-20 -108.79 1.76 21.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.224 0.535 . . . . 0.0 109.763 174.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 137' ' ' THR . 90.0 m-20 -92.24 118.72 31.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.39 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' ' 23' ' ' ARG . 47.8 mt -91.56 99.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 137' ' ' THR . 54.6 mt -97.11 119.06 44.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.482 -172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 10' ' ' LEU . 6.8 mp -97.73 105.11 17.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.372 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -84.95 104.97 15.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.955 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 134' ' ' VAL . 18.7 mmt -85.83 113.06 49.41 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.219 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 36' ' ' VAL . 28.3 Cg_endo -75.0 122.93 7.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 121.881 1.72 . . . . 0.0 110.593 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -46.96 -36.08 7.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.651 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -57.84 -37.15 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 33' ' ' PRO . 28.0 m -98.88 -25.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.937 -175.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 m -86.55 -50.08 7.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.142 0.496 . . . . 0.0 110.913 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.01 -157.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.119 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 14.5 t70 -107.19 170.11 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 p -44.31 -59.91 2.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 m -124.33 18.67 8.99 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 39' ' ' ASP . 20.0 p -128.02 -177.13 4.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.644 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.21 18.92 20.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.154 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -80.14 122.97 27.47 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.54 117.47 20.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.606 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 3.2 ptpp? -75.78 157.98 83.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.989 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.85 -40.68 57.25 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.34 . . . . 0.0 113.043 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.46 89.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.62 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -65.48 -41.04 96.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.769 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.0 91.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.586 0.231 . . . . 0.0 110.879 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.46 -38.81 85.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 110.555 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.454 HG21 HG21 ' A' ' 19' ' ' VAL . 28.5 m -65.47 -40.73 93.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.659 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 HD22 HG13 ' A' ' 94' ' ' VAL . 75.6 mt -65.54 -38.73 90.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.9 m -58.15 -35.21 71.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -66.92 -42.3 92.87 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.999 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.6 -48.77 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 110.371 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB2' ' HG ' ' A' ' 98' ' ' LEU . . . -64.25 -30.58 71.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.451 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 41.1 tpp -63.26 -45.84 89.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.207 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 55.2 t -70.35 -31.1 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -66.07 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -75.39 -19.25 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.128 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 58' ' ' MET . 21.2 mm-40 -75.06 -52.92 9.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.944 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.14 86.09 59.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.83 29.15 0.5 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.543 2.162 . . . . 0.0 112.744 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -103.78 16.49 26.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.492 HG21 HE22 ' A' ' 6' ' ' GLN . 9.3 p -119.25 140.2 50.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.53 124.92 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.485 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 96.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.601 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 35.3 m-80 -91.08 102.12 14.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -97.31 104.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.862 0.363 . . . . 0.0 110.023 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 111' ' ' GLN . 10.7 mt -106.18 118.66 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 -177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.95 136.71 13.5 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.657 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 87.9 m-85 -126.81 157.44 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.511 0.672 . . . . 0.0 112.26 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.491 HG22 ' OG ' ' A' ' 87' ' ' SER . 9.9 t 175.93 119.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.067 172.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.949 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 10.8 t70 -69.55 172.51 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.029 0.442 . . . . 0.0 110.999 -173.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 p -69.9 74.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.954 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -105.2 -16.23 14.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.7 -163.21 11.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.597 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.36 146.36 48.69 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -48.33 -53.71 16.46 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 122.769 0.428 . . . . 0.0 112.066 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.2 -28.77 57.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.2 -46.45 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' HB3' HG23 ' A' ' 74' ' ' THR . 75.0 m-20 -57.92 -44.77 87.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 109.512 175.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.5 ttt -64.14 -45.95 86.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.019 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -59.03 -44.91 91.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.34 -42.54 99.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.364 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 74' ' ' THR . 49.3 m -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.181 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.9 -47.35 85.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.634 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.25 -43.14 99.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 65.1 mtt180 -60.32 -49.68 76.62 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.668 0.27 . . . . 0.0 110.649 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.74 99.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.0 t70 -71.98 -32.48 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 m -67.24 -32.89 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.627 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.517 HG13 HD22 ' A' ' 53' ' ' LEU . 94.2 t -65.21 -49.6 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.071 0.463 . . . . 0.0 109.756 173.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.547 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.37 -49.41 77.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.505 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.0 p -59.5 -38.7 81.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.528 0.204 . . . . 0.0 110.97 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -60.09 -48.38 81.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HG ' ' HB2' ' A' ' 57' ' ' ALA . 8.8 mp -56.67 -48.57 77.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 95' ' ' ALA . 78.5 mt -54.97 -42.55 64.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.3 m -66.15 -23.85 66.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.233 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 26.7 mm-40 -81.69 -8.53 59.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 110.462 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.06 42.58 1.5 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.002 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 60' ' ' LEU . 77.3 t -117.98 136.06 56.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.624 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . 10.4 t0 -69.27 127.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.906 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.05 63.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.913 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.3 m -69.94 -11.44 60.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.32 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.624 ' HE ' ' HB3' ' A' ' 104' ' ' ASP . 30.2 mtt180 -99.8 0.47 41.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.937 0.398 . . . . 0.0 110.649 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 58.3 mt -111.5 132.37 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 109' ' ' ARG . 3.7 tpm_? -118.76 105.09 11.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 92' ' ' ASP . 11.0 p -96.16 122.02 38.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 111.5 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ILE . 8.2 pt20 -136.83 108.03 6.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.425 0.631 . . . . 0.0 110.906 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.05 78.14 0.87 Allowed Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 53.5 mt -80.97 -11.6 59.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.969 0.414 . . . . 0.0 111.08 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 73.18 -136.01 21.94 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.154 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.949 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 91.9 Cg_endo -81.07 33.3 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.504 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.41 -30.84 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.566 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 82.9 m-20 -112.2 99.62 46.91 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.421 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HB3' ' HB2' ' A' ' 122' ' ' ASN . 8.0 Cg_exo -72.58 84.32 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.54 2.16 . . . . 0.0 110.942 173.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.0 tt -65.81 -45.73 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.717 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -104.46 171.62 7.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 m -56.2 106.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 110.043 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 118' ' ' PRO . 12.4 t-20 -82.92 -10.66 58.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.421 -170.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 t -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 p -111.52 153.85 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.94 -21.13 66.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.013 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.21 -49.95 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.912 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.24 63.58 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.175 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -68.26 -42.54 79.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.57 -34.49 77.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.365 0.602 . . . . 0.0 110.273 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.99 -19.26 60.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.128 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -79.96 -11.56 59.78 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.164 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -73.79 80.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.28 0.562 . . . . 0.0 109.983 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -154.13 168.54 26.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.067 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 32' ' ' MET . 73.8 t -130.9 114.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -101.98 117.31 34.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.132 0.491 . . . . 0.0 111.311 -172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 136' ' ' ILE . 3.2 mp -92.63 104.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.259 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 40.2 m -95.49 107.58 19.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.769 -177.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.435 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.0 mt -88.42 109.43 20.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.646 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 m -112.09 168.23 7.96 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.912 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -58.51 134.81 63.5 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.978 1.786 . . . . 0.0 110.8 171.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -90.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 121.131 -0.227 . . . . 0.0 111.243 -175.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.885 ' HG ' ' H ' ' A' ' 143' ' ' GLU . 17.4 tp 57.15 -157.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -174.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.885 ' H ' ' HG ' ' A' ' 142' ' ' LEU . 43.0 mm-40 62.87 -167.39 0.21 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.196 0.522 . . . . 0.0 111.992 173.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 70.83 -64.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.427 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -126.39 -13.31 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.656 0.265 . . . . 0.0 111.354 -174.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.09 129.54 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.42 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -92.88 -165.83 1.42 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.453 173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -84.66 24.39 1.03 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.473 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.841 0.353 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -142.6 151.5 41.57 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.6 tpt 75.04 -39.17 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.215 0.606 . . . . 0.0 111.125 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -50.82 -53.87 28.49 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.065 0.546 . . . . 0.0 111.842 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.2 -31.09 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.337 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.645 HE22 HG21 ' A' ' 66' ' ' THR . 34.4 tt0 -69.35 -44.35 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -59.06 -41.13 87.19 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.062 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.21 78.61 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.792 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -68.46 -35.63 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.586 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 28' ' ' ILE . 67.9 mt -63.41 -47.21 82.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.753 0.311 . . . . 0.0 110.754 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -71.84 -21.44 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.85 -56.01 6.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.565 175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.3 -27.11 62.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.312 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -105.44 31.84 4.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.728 0.299 . . . . 0.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 8.7 ptp85 -68.69 105.22 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.152 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.7 30.6 72.85 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.242 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -83.22 -27.31 30.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 110.507 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.27 -29.34 3.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.16 124.84 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 16.5 m -86.95 117.08 25.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.5 t -97.21 94.56 4.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.194 0.521 . . . . 0.0 110.604 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 7.0 m -107.21 100.94 10.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.937 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 27' ' ' ASN . 6.1 tmm_? -94.45 112.27 24.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.481 0.657 . . . . 0.0 110.375 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 t -98.56 122.49 41.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.179 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.06 3.27 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.81 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -123.17 26.65 7.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.664 0.745 . . . . 0.0 109.218 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 15.4 m120 -120.23 120.93 37.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.405 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.447 HG12 ' HG3' ' A' ' 23' ' ' ARG . 36.6 mt -91.41 104.62 15.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 120.953 0.406 . . . . 0.0 110.307 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 22' ' ' THR . 53.0 mt -95.93 105.68 17.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.43 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.73 104.37 16.49 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 9.0 m120 -80.44 100.02 8.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.4 mmt -80.02 110.81 17.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.882 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.4 145.73 34.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.786 2.324 . . . . 0.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -70.25 7.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.773 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.15 -36.07 9.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.599 0.238 . . . . 0.0 111.494 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.29 -22.74 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 m -85.46 -51.49 6.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.424 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 87.9 m-85 -111.56 171.86 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.365 . . . . 0.0 111.04 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.34 -170.76 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 t -61.82 -56.68 16.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.845 0.355 . . . . 0.0 110.53 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -126.67 -169.34 2.01 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.3 t 61.87 -163.03 0.27 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.311 0.382 . . . . 0.0 110.056 -177.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.58 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . . . -115.78 31.51 6.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.409 0.624 . . . . 0.0 109.846 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 123.57 27.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.655 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.84 126.12 30.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.636 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 20.2 ptmt -84.09 156.82 63.46 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 5.9 Cg_exo -42.36 -47.41 7.29 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.572 2.848 . . . . 0.0 113.3 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -51.42 69.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 111.185 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.37 -41.31 99.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.282 -0.485 . . . . 0.0 112.715 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.82 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -66.77 -43.79 83.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.52 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -58.1 -47.85 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.32 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.92 -34.44 74.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.7 m -68.14 -37.6 81.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.46 -41.58 99.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.71 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 57.9 t -62.81 -48.37 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.401 176.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.3 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.96 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.629 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 44.4 ttm -58.98 -45.01 91.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 22.7 t -70.53 -27.59 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.179 0.514 . . . . 0.0 110.546 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.9 mt -72.27 -25.5 61.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.181 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.629 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 41.5 mttm -73.89 -33.93 64.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 173.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.2 mt-10 -69.1 -39.55 78.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.92 -178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -127.52 106.7 21.06 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 0.0 110.636 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.576 ' HG2' ' HD3' ' A' ' 65' ' ' LYS . 22.8 Cg_endo -60.58 -55.86 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 124.115 3.21 . . . . 0.0 114.989 -166.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HB3' ' HB2' ' A' ' 141' ' ' LEU . 2.1 mppt? -81.67 79.13 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.385 0.612 . . . . 0.0 111.6 -170.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.645 HG21 HE22 ' A' ' 6' ' ' GLN . 6.9 p -136.92 117.5 13.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.987 175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.565 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -81.02 142.8 33.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.878 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 26.0 t -127.65 97.48 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.768 -175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' ND2' ' HB ' ' A' ' 137' ' ' THR . 9.7 p30 -95.7 122.76 38.81 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.022 -0.671 . . . . 0.0 109.483 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 136' ' ' ILE . 15.3 m -113.12 107.53 23.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.324 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.9 mt -114.07 115.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.979 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' SER . . . -99.11 102.94 2.65 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.175 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -89.33 -178.02 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 0.0 110.691 -175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.562 HG22 ' HA2' ' A' ' 114' ' ' GLY . 10.9 t -171.68 -166.06 0.41 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.052 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.52 -163.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 m -101.33 -6.76 23.69 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -66.44 122.71 18.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.306 . . . . 0.0 110.967 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.95 -13.59 56.08 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.936 -0.65 . . . . 0.0 111.851 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.19 121.35 3.32 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' O ' ' HB2' ' A' ' 84' ' ' MET . 17.5 p-80 -58.64 -31.37 68.08 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 111.445 -174.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.9 m-20 -74.04 -55.19 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.881 0.372 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.043 -176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -65.4 -35.92 82.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.671 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 27.5 ttt -60.67 -46.04 91.83 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.815 176.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 76.6 mtp85 -63.9 -35.35 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.025 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.531 ' OG ' ' HB ' ' A' ' 74' ' ' THR . 70.8 m -65.58 -40.05 92.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.489 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -42.92 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.999 0.428 . . . . 0.0 109.876 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.22 -34.73 75.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.197 0.522 . . . . 0.0 110.135 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 86.6 mtt180 -69.51 -41.75 75.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.753 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.81 91.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.936 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.11 -38.85 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.433 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 m -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.14 -49.35 84.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.178 0.513 . . . . 0.0 109.987 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -60.29 -42.95 96.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.057 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 t -56.69 -42.96 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.35 -46.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.27 -47.41 84.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.997 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 82.7 mt -59.46 -40.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.939 0.4 . . . . 0.0 110.645 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.2 m -60.59 -35.19 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.724 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 8.8 mm-40 -82.23 -1.29 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.228 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.88 -7.67 19.45 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.591 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 62.0 t -71.39 121.32 21.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.016 0.436 . . . . 0.0 110.562 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 107' ' ' ARG . 16.0 t70 -59.39 135.73 57.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.574 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.36 -27.55 67.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.311 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.6 m -80.56 -8.69 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.115 0.483 . . . . 0.0 110.599 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.577 ' HD3' ' HB3' ' A' ' 104' ' ' ASP . 64.3 mtp180 -90.61 -13.5 34.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.906 173.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.657 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 58.3 mt -106.78 111.57 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -95.52 112.52 24.22 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 p -96.98 123.85 40.8 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -142.99 169.07 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.975 172.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -114.93 -77.19 0.71 Allowed Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 35.7 mt 63.34 86.92 0.11 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.656 0.382 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 74' ' ' THR . . . -62.76 -88.54 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.561 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.56 41.99 1.08 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.554 2.169 . . . . 0.0 112.568 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.757 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -112.77 103.5 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.772 0.32 . . . . 0.0 110.909 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 117' ' ' ASN . 0.9 OUTLIER 69.12 87.33 0.11 Allowed Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 121.604 0.716 . . . . 0.0 111.582 176.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -89.78 169.21 4.62 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.143 2.562 . . . . 0.0 112.452 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 130' ' ' GLN . 33.7 pt -108.18 3.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.334 176.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.535 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -152.79 -175.78 5.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.267 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 45.4 t -81.64 116.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.668 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -60.77 -20.49 61.53 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.287 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.5 t -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.041 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.1 p -110.63 156.91 20.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.745 0.307 . . . . 0.0 111.223 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.25 92.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.14 -32.5 71.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.697 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -66.8 -51.73 38.64 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.583 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.04 -43.18 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.326 . . . . 0.0 111.352 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.319 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.553 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 49.8 mt-30 -81.99 -26.2 34.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.31 -36.05 82.83 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.099 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 98.5 mtt180 -77.12 82.75 3.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.489 178.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -149.66 147.07 27.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.171 179.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.505 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 59.8 t -100.4 111.61 30.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.27 109.56 21.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.697 HG12 HG12 ' A' ' 70' ' ' VAL . 58.7 mt -92.06 102.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.955 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.603 ' HB ' ' ND2' ' A' ' 69' ' ' ASN . 24.7 m -96.26 107.13 19.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.108 0.48 . . . . 0.0 111.254 -177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.57 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.89 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 6.7 m -125.59 137.53 30.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.706 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 17.0 Cg_exo -66.63 121.29 8.5 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.542 2.161 . . . . 0.0 111.718 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 65' ' ' LYS . 52.9 mt -92.0 129.24 38.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.059 0.457 . . . . 0.0 111.263 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.09 175.86 10.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.703 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -57.09 129.46 41.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.29 0.567 . . . . 0.0 111.773 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -135.67 89.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.575 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -85.84 95.0 9.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -90.06 -70.5 0.66 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.391 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.568 ' O ' ' HB2' ' A' ' 148' ' ' HIS . 4.3 t-80 55.89 -97.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.799 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' HIS . 8.4 t60 167.01 -52.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 174.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.6 m80 . . . . . 0 C--O 1.244 0.783 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.002 170.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.391 0.139 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.83 -55.5 31.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.764 -174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 12.1 ttt -88.36 -19.89 26.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.285 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.31 -46.55 89.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.29 -24.97 20.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.356 0.598 . . . . 0.0 110.01 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' HG2' HG12 ' A' ' 59' ' ' VAL . 1.1 tm0? -68.41 -37.81 80.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.154 176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' MET . 52.0 mt-10 -59.73 -47.7 84.62 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.338 173.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.94 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.449 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.58 -39.98 95.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.439 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 30' ' ' LEU . 51.0 mt -66.86 -38.76 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.438 176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -76.14 -7.91 55.83 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.432 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -91.56 -40.72 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.615 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 12.0 mmmm -86.42 -29.75 22.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.931 -176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -103.4 35.87 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -78.34 -50.69 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.75 25.19 23.46 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.749 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -99.13 -19.76 17.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.018 0.437 . . . . 0.0 111.084 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.87 68.01 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.745 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.2 t -79.47 126.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.763 0.316 . . . . 0.0 110.523 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 25.5 m -91.96 126.55 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.651 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 t -98.33 101.46 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 59.7 m -105.7 123.08 47.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.109 0.48 . . . . 0.0 111.417 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 26' ' ' ASP . 32.8 tpt180 -90.58 134.16 34.58 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 m -147.26 101.58 3.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 0.0 110.478 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.18 -104.89 1.58 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' NH2' ' A' ' 23' ' ' ARG . 23.8 t0 -122.33 12.11 10.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.719 0.771 . . . . 0.0 109.081 175.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -106.55 148.59 28.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.655 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.9 mt -112.24 112.17 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 93.9 mt -92.31 109.93 22.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 10' ' ' LEU . 94.0 mt -93.74 103.27 15.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.281 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 11.7 m120 -79.4 97.98 6.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.365 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.521 ' O ' ' HB3' ' A' ' 133' ' ' ARG . 84.7 mmm -94.1 110.31 47.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.983 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB2' HG22 ' A' ' 36' ' ' VAL . 18.9 Cg_exo -65.32 133.43 35.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.567 2.178 . . . . 0.0 110.924 175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 41' ' ' SER . 14.9 t-20 -65.96 -39.97 90.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.306 -171.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -70.26 -14.3 62.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.099 -173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 33' ' ' PRO . 29.2 m -110.28 -3.68 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.096 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.1 m -104.28 -50.64 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.046 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' O ' ' HD2' ' A' ' 46' ' ' LYS . 98.0 m-85 -104.94 163.07 12.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.729 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.68 -86.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.874 0.734 . . . . 0.0 111.782 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -98.71 -65.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 29.9 p -159.38 18.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.375 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 p -90.56 -165.27 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.816 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.6 27.78 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.185 0.517 . . . . 0.0 110.689 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.1 m -110.38 117.36 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.57 133.06 47.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 38' ' ' PHE . 12.7 ptmt -93.55 162.96 26.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.6 -51.15 10.17 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.957 2.438 . . . . 0.0 113.203 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.33 89.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -66.41 -46.98 73.66 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.286 -178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.85 98.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 0.0 111.151 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.12 -36.16 77.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.76 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.1 m -67.09 -40.22 86.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.714 0.292 . . . . 0.0 110.506 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.04 -33.23 75.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.8 m -62.86 -39.32 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.802 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.05 98.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.88 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.46 -53.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 109.996 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 60' ' ' LEU . . . -63.79 -23.8 67.51 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.381 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.42 -54.99 23.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.013 0.435 . . . . 0.0 110.18 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG12 ' HG2' ' A' ' 6' ' ' GLN . 46.6 t -68.64 -37.17 77.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.167 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD11 HG22 ' A' ' 68' ' ' VAL . 8.1 tt -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.817 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -78.02 -39.13 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.303 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.4 89.22 46.81 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.079 0.466 . . . . 0.0 110.111 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.61 -1.64 10.62 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.576 2.851 . . . . 0.0 113.982 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -90.78 22.95 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 111.004 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.466 ' OG1' ' HG ' ' A' ' 60' ' ' LEU . 17.7 p -104.04 129.43 51.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.372 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.46 139.07 35.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.642 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.789 HG22 HD11 ' A' ' 60' ' ' LEU . 3.6 t -105.79 102.06 13.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.029 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.0 m-80 -93.53 99.4 11.87 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -92.4 97.19 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.97 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.95 115.84 41.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.07 0.462 . . . . 0.0 110.48 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.12 123.21 7.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.48 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -110.11 171.1 7.65 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 2.0 t -169.4 155.1 6.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.174 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 20.7 t70 -106.89 84.53 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.63 0.729 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -159.45 130.83 6.13 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.1 t -136.13 133.12 36.91 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.316 0.579 . . . . 0.0 110.666 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.6 -91.79 0.13 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.95 95.67 1.04 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -53.41 -48.46 68.69 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.581 0.224 . . . . 0.0 111.462 -173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -60.44 -38.91 85.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.298 -176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.24 -42.15 89.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.81 -42.71 99.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.783 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -44.57 92.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.305 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -54.46 -58.33 7.89 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.157 0.285 . . . . 0.0 111.709 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.91 -40.14 83.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 -175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.419 ' OG ' ' HA2' ' A' ' 114' ' ' GLY . 18.9 m -67.22 -40.6 86.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -70.03 -38.52 75.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.46 -36.18 82.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.09 -42.26 98.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.88 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.792 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.78 -43.5 90.47 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.6 m -58.86 -47.69 84.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 60.8 t -63.89 -44.71 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.01 -47.37 86.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.397 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t -58.94 -46.14 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.474 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -58.39 -40.93 83.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 90.4 mt -63.45 -45.29 91.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.696 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 95' ' ' ALA . 60.7 mt -63.14 -35.56 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.301 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.7 m -63.15 -32.0 73.28 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.775 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 81.0 mm-40 -79.08 -24.14 43.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.02 26.93 1.97 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.37 126.53 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.51 136.74 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.485 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.32 63.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 p -69.01 -23.76 64.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.382 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.476 ' HG2' HD11 ' A' ' 141' ' ' LEU . 71.6 mtp180 -80.69 -19.13 45.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.354 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -98.98 118.23 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.164 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -112.08 110.27 20.46 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.7 p -93.87 109.47 21.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.063 -176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -110.77 113.35 25.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.007 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.01 98.27 1.8 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.687 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 76.9 mt -95.14 -39.56 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' HA2' ' OG ' ' A' ' 87' ' ' SER . . . 80.05 -120.3 5.17 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.159 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -83.68 17.53 1.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.845 2.363 . . . . 0.0 112.629 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -95.94 136.29 36.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.424 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.0 t30 64.22 88.52 0.11 Allowed Pre-proline 0 N--CA 1.463 0.224 0 O-C-N 123.684 0.615 . . . . 0.0 111.515 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -85.76 133.76 4.43 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.922 2.415 . . . . 0.0 111.82 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.411 HD13 HH21 ' A' ' 133' ' ' ARG . 9.6 tt -87.81 -24.44 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 0.0 110.248 178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -127.35 173.75 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -58.5 145.18 39.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.295 -175.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -98.68 -17.27 18.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.481 177.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.0 t -72.68 -31.7 65.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.0 p -102.7 145.03 30.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.827 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.56 -27.4 60.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -64.32 -44.78 90.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.955 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.81 -40.42 97.31 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 30.6 mttm -58.55 -38.94 78.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.699 0.285 . . . . 0.0 111.064 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.11 -33.73 76.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.062 0.458 . . . . 0.0 110.855 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.97 -14.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.625 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.15 1.84 53.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.61 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 77.8 mtt180 -98.49 27.09 4.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.048 0.451 . . . . 0.0 110.581 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' MET . 47.5 mtm180 -111.59 178.22 4.4 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.105 0.478 . . . . 0.0 111.328 -170.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 137.05 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.752 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.21 114.41 23.61 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 61.7 mt -105.6 105.07 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 8.0 m -89.68 108.34 19.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 73.4 mt -84.67 112.57 20.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -115.21 154.15 47.36 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.347 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.16 130.43 22.72 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.279 1.986 . . . . 0.0 111.547 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 107' ' ' ARG . 12.4 mt -64.24 115.77 5.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.345 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.32 137.17 57.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.093 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.72 138.74 58.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.118 0.485 . . . . 0.0 110.975 -176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -141.96 -70.13 0.35 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.926 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 39.46 52.98 2.35 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.804 0.69 . . . . 0.0 111.985 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 147' ' ' HIS . 72.3 m-70 60.81 -96.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.222 -171.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 146' ' ' HIS . 7.9 p80 177.5 94.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 169.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -87.56 -16.3 35.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.33 0.586 . . . . 0.0 109.55 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.909 176.074 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -147.33 -65.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.069 0.461 . . . . 0.0 110.486 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.3 mtp -77.86 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.4 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.17 -48.81 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.164 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 11.6 p -64.1 -29.42 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.067 -177.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 6.8 mt-30 -72.34 -46.32 56.03 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.11 -41.01 87.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.13 81.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 43.0 mtmt -73.31 -27.92 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.76 -33.86 71.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 0.0 110.054 172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -66.66 -29.67 69.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.593 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.42 -37.12 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.578 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -73.52 -41.62 62.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.086 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.1 mmt -85.12 14.54 4.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -69.77 98.36 1.2 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.384 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.74 4.38 61.94 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.198 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' HB ' ' A' ' 36' ' ' VAL . 58.7 p -81.95 -19.07 41.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.55 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 95.74 -10.03 68.55 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.667 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG22 ' HG2' ' A' ' 32' ' ' MET . 61.5 t -75.98 118.04 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 42.6 m -82.5 105.54 13.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.052 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -76.87 106.04 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.583 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 20.4 m -114.98 132.82 56.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.64 124.98 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -140.94 125.38 17.66 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.91 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.4 -96.01 0.23 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.562 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -144.87 22.2 1.6 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.661 0.744 . . . . 0.0 109.201 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.51 166.73 23.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.924 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 55.0 mt -102.61 124.2 56.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.32 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 48.7 mm -102.23 103.8 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.869 178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 96.4 mt -92.68 95.89 9.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 t-20 -86.81 109.25 19.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.031 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG2' HG22 ' A' ' 19' ' ' VAL . 73.6 mtp -111.05 102.86 53.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.14 -176.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' HG21 ' A' ' 36' ' ' VAL . 32.3 Cg_exo -60.6 167.74 7.82 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 123.177 2.584 . . . . 0.0 112.634 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -60.84 -58.91 6.47 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.1 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.45 3.22 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG21 ' HD2' ' A' ' 33' ' ' PRO . 15.1 m -109.35 -7.52 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.398 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.3 m -118.77 -49.81 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -109.81 -177.32 3.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.785 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -66.3 -89.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.26 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -97.89 -71.9 0.67 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.354 0.597 . . . . 0.0 110.457 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 t -145.96 13.31 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.394 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -83.54 -169.86 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.23 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.61 18.82 21.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.399 0.619 . . . . 0.0 110.337 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -79.42 111.58 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.446 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.03 108.06 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 62.6 pttt -81.62 162.45 58.07 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.642 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 80.3 Cg_exo -47.37 -45.67 21.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.47 -51.32 68.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -67.48 -41.3 90.66 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.016 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.04 81.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.574 0.226 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.21 -39.33 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.619 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.1 m -59.74 -47.17 86.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.618 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD22 HG13 ' A' ' 94' ' ' VAL . 87.9 mt -65.0 -34.31 78.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.602 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.3 m -63.24 -40.34 97.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.268 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.4 -38.93 97.09 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.014 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.5 -46.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 110.194 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -34.37 74.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.547 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 mtt -65.43 -39.99 92.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.997 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.23 -30.52 43.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 0.0 110.195 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.62 -22.48 63.48 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.026 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -75.54 -34.31 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.473 0.654 . . . . 0.0 109.44 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.71 -52.08 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.012 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 6' ' ' GLN . 7.6 m-85 -132.49 93.66 24.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 -176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -84.32 25.68 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.761 2.307 . . . . 0.0 112.559 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -95.5 22.85 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.5 p -128.81 137.66 51.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.039 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -92.64 134.79 34.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.289 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.32 96.2 5.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.216 0.531 . . . . 0.0 110.431 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.579 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 16.4 m120 -88.66 98.06 11.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.873 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.7 t -91.6 99.12 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.858 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -107.97 125.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.356 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.4 134.49 11.81 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.133 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 114' ' ' GLY . 56.1 m-85 -119.84 146.43 45.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.5 p -143.01 179.24 7.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.424 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.92 -164.04 1.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.151 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.37 25.49 6.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.726 0.298 . . . . 0.0 111.56 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.9 m -80.62 -28.43 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.422 . . . . 0.0 110.508 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.07 -172.3 27.5 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.217 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.63 130.89 31.56 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -52.71 -50.71 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 111.54 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.7 m-20 -75.92 -27.93 57.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.818 -175.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.15 -47.42 57.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -74.28 -25.3 59.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.265 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.7 ttt -71.02 -42.84 69.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 57.8 mtp85 -59.61 -44.42 93.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.51 174.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 54.8 tp -62.89 -40.03 96.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 177.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -62.13 -48.64 79.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.512 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -64.02 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.012 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -58.38 -48.43 80.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.791 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 93.9 mtt180 -54.23 -54.02 45.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.51 -52.51 64.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.865 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.34 -20.28 60.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.674 -175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -74.46 -43.37 56.43 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 53' ' ' LEU . 78.4 t -58.78 -48.56 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 108' ' ' ILE . . . -59.57 -39.69 84.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.233 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -59.12 -36.98 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.18 78.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.771 0.32 . . . . 0.0 110.583 177.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -48.24 82.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.944 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 95' ' ' ALA . 81.5 mt -61.54 -40.0 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -64.16 -28.01 69.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -79.02 -9.3 59.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.069 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.27 54.66 1.16 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.666 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.9 t -118.43 137.93 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.37 119.03 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.1 -20.05 64.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.775 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.0 m -64.02 -22.58 66.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.75 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 16.7 mtm180 -99.52 2.93 45.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 95' ' ' ALA . 41.1 mm -107.77 118.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.164 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -116.07 107.37 14.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 21.0 p -102.15 112.07 24.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.959 0.409 . . . . 0.0 111.577 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.48 111.82 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 0.0 111.348 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.81 74.45 0.97 Allowed Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.46 -32.74 72.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.97 0.414 . . . . 0.0 111.346 -174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' TYR . . . 86.52 -126.5 7.91 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.219 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -71.78 87.41 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.298 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.97 41.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 95.2 m-20 47.5 58.69 17.25 Favored Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.608 0.568 . . . . 0.0 112.274 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 117' ' ' ASN . 5.4 Cg_exo -79.39 130.57 9.12 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.439 2.093 . . . . 0.0 111.313 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.515 HD13 HH12 ' A' ' 133' ' ' ARG . 39.0 pt -97.94 -17.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.035 0.445 . . . . 0.0 110.535 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.33 163.86 25.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.548 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 19.5 m -65.09 129.66 40.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.493 -177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -84.48 0.06 51.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.118 0.485 . . . . 0.0 109.722 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -76.97 -26.79 54.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.379 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.556 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 33.4 p -113.12 159.22 19.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.85 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.84 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.855 -173.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.08 -42.13 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -64.36 -40.55 97.92 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.737 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 124' ' ' THR . 90.5 mttt -59.03 -47.01 86.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.774 0.321 . . . . 0.0 110.414 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.97 77.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.721 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -75.76 -40.85 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.1 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -68.51 -28.84 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.592 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 98.5 mtt180 -68.21 109.54 3.62 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.515 HH12 HD13 ' A' ' 119' ' ' ILE . 3.9 ptp180 -168.49 171.63 8.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.146 0.498 . . . . 0.0 111.646 -175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.3 t -119.28 117.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 170.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -109.27 105.04 14.29 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.361 -175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 mt -87.57 104.24 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.161 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 63.8 m -90.84 108.97 20.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.99 177.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 95.2 mt -83.79 100.92 11.24 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 m -93.21 124.44 57.85 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.386 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.17 128.02 25.04 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.625 2.217 . . . . 0.0 111.755 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 67' ' ' ALA . 80.1 mt -83.46 98.37 9.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.82 -3.51 54.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.588 173.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 65.53 99.42 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.631 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -92.13 3.65 54.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.443 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -135.71 150.61 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -93.12 102.72 15.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.239 0.542 . . . . 0.0 111.041 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -125.15 -3.2 7.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.411 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -79.56 108.78 13.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.817 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.843 -178.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.361 0.6 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 140' ' ' PRO . 60.0 t80 -161.36 -67.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.253 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.452 ' HB3' HD11 ' A' ' 28' ' ' ILE . 25.1 mmt -80.19 -20.77 44.0 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.4 -48.7 55.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.546 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 12.5 p -67.0 -32.3 57.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.777 0.322 . . . . 0.0 110.641 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -73.66 -39.48 64.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.35 -45.07 80.58 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.336 174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.72 79.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.169 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 82.6 mttt -71.71 -36.95 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.578 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD13 HD21 ' A' ' 30' ' ' LEU . 94.5 mt -71.51 -40.95 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.62 0.248 . . . . 0.0 110.523 178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -63.8 -28.88 70.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.083 0.468 . . . . 0.0 110.213 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -71.0 -39.76 72.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.78 -21.86 13.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -171.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 mmt -107.0 16.46 24.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -88.11 93.85 9.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.298 0.571 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.77 10.94 36.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.558 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -91.21 -31.68 16.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 0.0 110.877 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.41 -5.04 13.3 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.831 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.0 t -88.3 114.72 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.883 0.373 . . . . 0.0 110.123 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 20.2 m -90.01 109.7 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.57 110.66 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.808 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.516 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 35.6 m -110.58 132.92 53.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.807 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 23' ' ' ARG . 9.1 tpt180 -99.76 132.06 45.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.933 0.397 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -141.55 100.79 3.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.35 -121.18 8.81 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -108.42 15.55 23.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.092 0.472 . . . . 0.0 109.863 171.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -99.13 133.5 43.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.4 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 3' ' ' MET . 70.0 mt -102.24 112.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.908 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 64.7 mt -98.16 103.41 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.567 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD21 HD13 ' A' ' 10' ' ' LEU . 94.3 mt -83.98 102.92 12.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.498 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.732 HD21 ' HD2' ' A' ' 133' ' ' ARG . 14.6 t-20 -90.97 103.94 16.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.646 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.428 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 86.7 mtp -108.58 113.98 59.41 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 32' ' ' MET . 27.1 Cg_endo -64.87 147.48 89.42 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.331 2.02 . . . . 0.0 111.266 174.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -54.36 -36.43 63.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.783 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -56.43 -37.11 69.78 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' ' 33' ' ' PRO . 30.1 m -99.66 5.75 9.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.9 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -121.41 -47.38 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.064 0.459 . . . . 0.0 110.97 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' THR . 61.5 m-85 -128.4 -171.97 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.601 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.96 -161.45 0.35 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.3 t -56.82 -67.24 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.257 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.767 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 27.5 m -139.94 -4.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -169.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -90.13 -4.77 57.11 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.463 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.25 35.27 18.31 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.963 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.0 m -80.47 132.49 35.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.125 177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.16 97.9 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.124 0.487 . . . . 0.0 110.525 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 17.2 ptmt -71.72 156.83 90.75 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.49 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.46 -48.03 20.36 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.061 2.507 . . . . 0.0 112.952 -177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.75 96.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.08 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.5 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.04 -45.67 91.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.998 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.63 -45.19 92.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.481 0.181 . . . . 0.0 110.714 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.05 -43.87 97.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.99 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -58.37 -48.56 80.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.624 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.33 -35.56 81.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 101' ' ' GLN . 85.9 m -60.06 -42.58 94.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.505 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.26 -45.5 95.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.963 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 t -63.38 -46.81 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB2' ' HA ' ' A' ' 98' ' ' LEU . . . -63.07 -33.71 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.583 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.0 ttp -62.33 -44.92 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.814 0.34 . . . . 0.0 110.302 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.03 -41.72 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.296 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 92.8 mt -67.79 -23.17 65.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' HA3' ' A' ' 102' ' ' GLY . 23.7 ttpp -79.19 -29.93 43.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 47.5 mt-10 -70.64 -43.31 69.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.13 174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -117.95 84.05 20.22 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.402 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 2.2 Cg_endo -80.17 6.75 5.11 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.435 2.756 . . . . 0.0 112.756 -172.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -91.58 28.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.197 0.523 . . . . 0.0 110.096 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 p -110.4 129.45 55.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -93.08 114.91 27.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.557 ' HB ' HG12 ' A' ' 108' ' ' ILE . 34.9 t -95.68 114.85 33.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.551 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 24.1 m-80 -101.88 102.41 12.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 ' HB ' HG22 ' A' ' 110' ' ' THR . 7.8 t -96.78 107.87 20.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.877 0.37 . . . . 0.0 110.123 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.08 109.72 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.056 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.1 121.3 6.63 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.05 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.9 m-85 -102.2 138.5 39.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.156 0.503 . . . . 0.0 111.782 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.1 p -123.95 157.24 34.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.559 173.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 23.1 p-10 -93.95 12.04 27.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.42 -176.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' A' ' 115' ' ' PRO . 80.7 p 56.77 13.69 1.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.12 0.968 . . . . 0.0 113.425 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 35.3 m -77.33 103.37 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 110.454 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.56 -82.36 0.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.705 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.45 152.62 24.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.836 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -64.91 -63.51 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.72 0.26 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 8.8 t70 -63.73 -42.46 97.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.19 -53.67 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.548 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -74.72 -18.14 60.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.801 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 87' ' ' SER . 26.8 ttt -76.82 -41.77 42.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.105 176.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 55.9 mtt180 -60.55 -44.14 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.804 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.37 -37.9 87.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.424 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 84' ' ' MET . 31.8 t -57.0 -54.32 48.11 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.484 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.781 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -65.46 -45.19 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -57.96 -45.01 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.215 0.322 . . . . 0.0 111.531 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.767 ' NH2' ' HA ' ' A' ' 41' ' ' SER . 65.5 mtt180 -65.65 -39.04 90.97 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.87 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.65 83.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 0.0 110.711 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.563 ' HA ' HG21 ' A' ' 110' ' ' THR . 18.7 t70 -71.62 -34.77 70.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.522 -175.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 p -66.95 -41.49 86.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.5 0.191 . . . . 0.0 110.792 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.527 HG21 HG11 ' A' ' 134' ' ' VAL . 75.7 t -56.67 -45.04 82.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 121.005 0.431 . . . . 0.0 109.952 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' HD13 ' A' ' 99' ' ' ILE . . . -62.32 -44.71 95.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.812 177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -56.38 -41.59 76.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.69 95.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 79.7 mt -61.63 -47.08 87.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.7 mp -59.58 -38.8 77.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.7 m -60.06 -35.53 75.36 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.432 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 54' ' ' THR . 2.6 mp0 -86.89 -5.67 59.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -174.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 61' ' ' LYS . . . 137.84 -10.08 3.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 119.696 -1.24 . . . . 0.0 114.606 173.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 29.3 t -80.55 145.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 117.72 0.76 . . . . 0.0 110.854 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.48 146.04 29.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.676 0.274 . . . . 0.0 110.342 176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 99' ' ' ILE . . . -74.59 -29.3 61.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.766 -175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -65.42 -20.98 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.749 0.309 . . . . 0.0 111.652 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.501 ' HD2' HD11 ' A' ' 141' ' ' LEU . 60.0 mtm-85 -99.26 4.19 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 110.788 -177.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 103' ' ' VAL . 34.2 mt -123.64 117.87 52.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.054 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.2 133.77 54.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.418 0.627 . . . . 0.0 110.26 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 92' ' ' ASP . 36.2 p -115.81 113.09 22.93 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.678 -174.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -111.92 108.61 18.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.157 0.503 . . . . 0.0 111.205 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.84 81.42 1.68 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.164 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.6 mt -91.34 0.77 57.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.573 0.225 . . . . 0.0 111.348 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.22 46.31 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.437 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HG3' ' HB3' ' A' ' 76' ' ' SER . 94.0 Cg_endo -86.7 36.66 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.129 2.553 . . . . 0.0 112.578 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.09 88.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.958 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.652 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 89.8 m-20 -125.31 82.42 62.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.176 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.42 130.98 5.48 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.879 2.386 . . . . 0.0 111.003 174.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.652 ' HB ' HE22 ' A' ' 130' ' ' GLN . 58.6 mt -75.53 -31.06 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.185 0.517 . . . . 0.0 110.235 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -123.2 160.68 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.18 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 p -66.09 145.11 56.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.0 111.542 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.525 ' O ' ' HE3' ' A' ' 128' ' ' LYS . 41.7 m-80 -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.2 m -64.65 -25.52 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.309 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.6 p -98.29 136.04 39.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.045 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.152 0.501 . . . . 0.0 109.854 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.99 -42.11 93.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.455 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -58.47 -39.56 93.18 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.266 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 122' ' ' ASN . 99.7 mttt -71.85 -35.44 69.85 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.897 0.38 . . . . 0.0 110.681 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.97 63.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.638 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -92.66 -11.62 33.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.985 0.421 . . . . 0.0 110.63 178.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -74.96 -33.53 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.293 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.65 96.21 0.38 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.233 176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.732 ' HD2' HD21 ' A' ' 31' ' ' ASN . 35.7 ptt-85 -155.49 163.32 40.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.745 0.307 . . . . 0.0 110.882 -175.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.527 HG11 HG21 ' A' ' 94' ' ' VAL . 46.7 t -105.81 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -107.19 100.92 10.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.078 0.466 . . . . 0.0 110.14 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.7 mt -98.46 106.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.774 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 23.5 m -96.8 105.65 17.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.794 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.6 mt -86.45 113.99 22.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.1 p -116.96 148.31 41.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.484 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.568 ' HB3' ' HE2' ' A' ' 2' ' ' TYR . 37.6 Cg_endo -67.03 141.19 57.01 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.139 1.893 . . . . 0.0 111.711 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 65' ' ' LYS . 16.3 mt -77.04 75.49 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.6 . . . . 0.0 111.425 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.26 162.34 15.92 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 143' ' ' GLU . 10.5 pt-20 -61.82 110.28 1.49 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.559 0.695 . . . . 0.0 110.705 -178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -96.35 23.14 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -76.6 117.36 18.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.111 -1.404 . . . . 0.0 109.555 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -76.4 168.94 19.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.61 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.63 -173.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.721 -176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 149' ' ' HIS . 80.4 m80 -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -167.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' ' 148' ' ' HIS . 26.0 t-80 . . . . . 0 C--O 1.243 0.752 0 C-N-CA 124.436 1.094 . . . . 0.0 109.069 169.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 63' ' ' TYR . 58.8 t80 -66.68 150.4 49.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 75.81 -44.38 0.51 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.85 0.719 . . . . 0.0 110.728 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.39 -44.08 95.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.015 0.436 . . . . 0.0 110.673 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.26 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -67.34 -39.74 85.81 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -58.54 -44.33 89.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.232 178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.08 76.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.845 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.63 -49.8 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.62 -39.9 89.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 110.919 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' HG21 ' A' ' 21' ' ' VAL . 16.5 ttp85 -60.79 -44.22 97.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.369 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.92 -31.33 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -69.18 -39.66 78.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.752 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 mmt -80.75 -85.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 52.83 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.701 0.8 . . . . 0.0 112.586 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.97 14.4 57.12 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.305 -173.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 p -80.05 -29.83 39.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.111 0.481 . . . . 0.0 110.695 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.22 -12.25 36.99 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.4 t -76.96 117.72 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.558 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.6 m -83.31 134.23 34.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 11' ' ' ARG . 43.1 t -98.64 104.2 15.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.582 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 76.8 m -102.67 123.07 45.7 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.944 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 7' ' ' GLU . 4.7 mmm180 -107.01 115.89 30.96 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.294 0.849 . . . . 0.0 113.294 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 25.5 m -93.5 161.43 14.37 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 165.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -39.5 -41.99 1.8 Allowed Glycine 0 CA--C 1.52 0.401 0 O-C-N 123.591 0.557 . . . . 0.0 114.472 -176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -139.82 13.7 2.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.159 0.479 . . . . 0.0 111.463 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 65.8 t30 -125.09 122.41 37.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.713 0.292 . . . . 0.0 110.279 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 85.6 mt -96.27 110.58 24.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.151 0.501 . . . . 0.0 110.408 -179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 67.3 mt -102.07 106.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.522 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -95.22 110.26 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.222 0.534 . . . . 0.0 110.63 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.713 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 11.7 m120 -78.26 98.63 5.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.569 -178.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 11.0 mmt -93.26 115.31 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.232 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.02 120.75 6.79 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.983 2.455 . . . . 0.0 111.083 172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.717 ' HB3' ' HA ' ' A' ' 133' ' ' ARG . 3.0 p-10 -59.68 -28.91 67.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.841 -172.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.87 -21.77 54.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.532 -173.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.81 -29.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -77.41 -47.82 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.206 0.527 . . . . 0.0 110.599 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -112.82 -175.75 2.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.431 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.33 145.93 28.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 165.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -53.28 -40.28 64.59 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -112.04 -40.8 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -74.27 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.47 19.96 11.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.023 0.439 . . . . 0.0 111.247 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -91.82 136.27 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.298 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.73 127.72 32.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 0.0 111.526 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 5.5 ptpp? -92.42 160.49 34.75 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.91 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 90.1 Cg_exo -42.78 -50.84 5.74 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.525 2.817 . . . . 0.0 113.858 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -55.11 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.708 0.29 . . . . 0.0 111.243 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.46 -40.02 97.1 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.467 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.28 88.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.697 0.284 . . . . 0.0 111.304 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -72.07 -27.76 62.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.994 0.426 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -64.05 -45.6 88.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 109.651 172.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.34 -32.65 74.34 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.782 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.5 m -57.51 -44.16 84.81 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 120.966 0.412 . . . . 0.0 110.421 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.99 -43.89 98.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.118 178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 56.7 t -61.85 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 0.0 110.487 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.51 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.342 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 61.4 mtt -61.07 -44.74 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.495 177.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.89 -35.33 67.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.089 0.471 . . . . 0.0 110.299 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 88.3 mt -70.44 -21.07 62.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.18 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -91.65 -25.45 19.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.406 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' MET . 44.7 mt-10 -68.84 -45.3 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 43.9 m-85 -128.37 105.07 19.57 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.737 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HA ' ' NH1' ' A' ' 107' ' ' ARG . 93.2 Cg_endo -85.7 -6.74 8.72 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.654 2.236 . . . . 0.0 114.334 -171.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -93.04 38.85 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.897 0.379 . . . . 0.0 111.984 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -127.69 124.49 38.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.175 0.512 . . . . 0.0 110.761 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.3 120.44 26.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.448 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -88.38 103.13 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.393 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.58 103.09 15.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.454 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.1 t -93.51 97.18 6.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.478 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HB ' ' HB3' ' A' ' 135' ' ' GLU . 54.7 mt -95.22 111.87 26.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.069 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' SER . . . -89.08 129.48 9.68 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.938 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -112.31 176.46 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.973 0.416 . . . . 0.0 109.925 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 83' ' ' ASN . 9.4 t -167.54 152.2 6.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.676 ' HB2' ' HD2' ' A' ' 128' ' ' LYS . 5.8 p-10 -70.55 165.85 21.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.32 . . . . 0.0 110.249 -178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.0 p -76.69 85.94 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.252 0.548 . . . . 0.0 110.685 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 78' ' ' GLY . 1.9 m -94.5 171.18 8.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.593 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 77' ' ' THR . . . -66.85 -28.73 73.91 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.245 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.43 92.34 1.72 Allowed Glycine 0 C--O 1.227 -0.325 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.521 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -65.67 -38.01 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.07 -46.25 35.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.099 0.476 . . . . 0.0 110.49 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.33 -34.66 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.167 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' HB3' HG21 ' A' ' 74' ' ' THR . 5.6 m-20 -67.6 -36.63 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.67 0.271 . . . . 0.0 110.928 177.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.49 -48.42 79.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.374 0.607 . . . . 0.0 109.893 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -66.42 -37.17 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.33 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.94 -43.54 98.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.327 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 92.4 p -64.56 -36.55 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.667 -179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA3' ' A' ' 112' ' ' GLY . 3.3 mm-40 -71.21 -42.34 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.64 -41.89 99.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.697 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.07 -44.6 95.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.71 96.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.963 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.91 -41.29 91.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.782 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 m -61.07 -41.96 97.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.69 -49.73 82.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.4 -49.61 75.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.726 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.0 t -54.4 -43.66 71.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.379 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.72 66.37 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.74 -42.94 80.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.1 mt -59.87 -31.78 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.595 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -64.71 -33.66 76.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.249 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -84.63 -7.66 59.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.726 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.26 -3.28 8.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.277 -0.964 . . . . 0.0 113.611 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 50.0 t -71.82 133.39 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 117.063 0.431 . . . . 0.0 110.098 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -73.67 138.7 44.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.955 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.594 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 t -74.93 -8.67 57.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.146 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 64' ' ' PRO . 48.0 mtm180 -105.21 8.56 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 0.0 110.351 177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 95' ' ' ALA . 34.7 mm -115.89 133.43 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.208 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -119.57 105.16 10.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -95.8 111.16 23.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.252 0.548 . . . . 0.0 110.598 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -110.69 121.13 44.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.949 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA3' ' HG2' ' A' ' 88' ' ' GLN . . . -99.57 100.19 2.2 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.523 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.4 -27.63 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.015 0.436 . . . . 0.0 110.376 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.564 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 69.14 -135.87 28.13 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.801 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -88.65 26.14 0.59 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.308 2.672 . . . . 0.0 112.064 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.95 -30.59 62.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.284 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -121.7 96.28 47.4 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' A' ' 122' ' ' ASN . 13.4 Cg_exo -69.58 96.52 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.926 2.417 . . . . 0.0 111.73 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.7 tt -68.72 -24.5 28.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.468 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.93 179.39 6.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.121 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.657 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.9 m -65.4 97.23 0.27 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.981 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.425 ' HB3' ' HB3' ' A' ' 118' ' ' PRO . 30.0 p-10 -69.44 -15.69 63.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.573 -173.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -80.62 -7.13 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.199 0.523 . . . . 0.0 110.242 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 63.1 p -117.26 153.38 33.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.843 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.64 82.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.05 -50.44 73.43 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.788 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.57 -45.51 95.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.152 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 75' ' ' ASP . 14.0 mtmt -57.63 -43.07 84.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.438 0.161 . . . . 0.0 110.785 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.48 77.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.244 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 25.3 tt0 -89.34 0.4 56.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.2 0.524 . . . . 0.0 110.758 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -100.09 -9.16 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 32.8 mtm180 -84.76 0.44 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 111.305 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.717 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -88.23 178.67 6.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.266 0.555 . . . . 0.0 112.355 -169.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.66 136.88 56.24 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.515 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.522 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 4.1 tp10 -101.76 108.67 20.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.502 -177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.411 HD12 ' HG3' ' A' ' 32' ' ' MET . 59.2 mt -94.58 101.71 12.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 175.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 HG12 ' A' ' 29' ' ' ILE . 2.6 m -111.25 118.79 36.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.123 0.487 . . . . 0.0 111.612 -172.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.517 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -96.35 122.94 39.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.1 p -130.67 146.69 63.01 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -51.36 135.53 46.74 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.542 2.161 . . . . 0.0 111.833 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tt -68.97 103.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 142' ' ' LEU . 2.8 pp -77.26 168.87 19.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.615 -175.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.45 116.26 16.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.276 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -130.26 33.41 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.717 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -55.24 107.43 0.31 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.114 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 50.92 36.41 14.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.813 0.696 . . . . 0.0 112.118 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -103.66 141.19 36.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.065 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -74.65 166.75 23.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.219 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.97 178.449 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 t80 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.662 0.268 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.94 -72.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 171.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 mmt -69.75 -24.78 63.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.02 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -44.81 -54.77 6.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.134 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.15 -36.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.55 0.215 . . . . 0.0 111.504 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.54 ' HG3' HG12 ' A' ' 59' ' ' VAL . 35.4 tt0 -66.03 -47.56 74.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.088 0.471 . . . . 0.0 109.936 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.79 -36.42 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.415 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.34 87.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.4 -30.19 57.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.0 110.851 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' GLN . 93.5 mt -68.82 -39.85 79.8 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -60.96 -36.79 80.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.324 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -66.06 -42.55 89.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.194 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.65 -34.52 9.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 mmt -98.33 35.62 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.342 0.591 . . . . 0.0 110.087 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -66.21 -47.32 74.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.42 55.58 0.53 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.908 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -105.52 -32.31 8.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 111.052 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.31 -9.58 4.72 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.581 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 32' ' ' MET . 42.4 t -92.83 109.81 22.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.554 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 20.0 m -82.09 100.54 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.063 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.37 100.74 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 m -106.01 132.21 52.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -94.72 126.58 40.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.782 0.325 . . . . 0.0 110.877 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 t -126.51 113.57 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 172.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.14 -106.46 1.02 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.585 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.44 27.41 6.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.57 0.7 . . . . 0.0 110.151 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -137.73 154.86 49.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.85 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.0 mt -109.66 125.48 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.14 113.63 43.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.8 mp -89.61 99.11 12.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 12.3 m120 -84.6 92.95 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.48 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 19' ' ' VAL . 24.8 ttt -111.51 104.69 56.38 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' HG22 ' A' ' 36' ' ' VAL . 32.2 Cg_exo -58.12 131.54 43.95 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.479 2.119 . . . . 0.0 111.199 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -59.96 -12.79 8.67 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.041 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -63.23 -36.85 85.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.549 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 33' ' ' PRO . 33.5 m -95.97 -12.2 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 0.0 111.008 -177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -83.71 -49.66 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.228 0.537 . . . . 0.0 110.516 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -108.82 153.98 22.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.199 -175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.595 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 17.5 t70 -62.84 -71.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 110.406 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -95.95 -73.35 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' NH2' ' A' ' 90' ' ' ARG . 29.5 p -179.37 -1.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -84.34 27.96 0.66 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.037 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.46 17.32 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.283 0.563 . . . . 0.0 111.103 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -80.39 110.28 15.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.406 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.09 114.06 13.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.595 ' HD3' ' HA ' ' A' ' 39' ' ' ASP . 51.9 pttt -84.44 157.71 61.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.723 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -45.94 -47.8 13.65 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.359 2.706 . . . . 0.0 113.349 -176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.17 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.989 0.423 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.34 92.13 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.106 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.79 89.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.667 0.27 . . . . 0.0 110.913 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.8 -37.55 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.5 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.7 63.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.73 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.47 -38.3 83.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.7 m -58.11 -45.99 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.619 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.2 99.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.268 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.72 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 110.311 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.1 71.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.489 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.2 mmt -62.1 -58.42 7.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.761 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' HG3' ' A' ' 6' ' ' GLN . 19.5 t -65.24 -30.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -177.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.554 HD11 HG22 ' A' ' 68' ' ' VAL . 5.4 tt -68.14 -46.11 71.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.067 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -65.02 -29.39 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.684 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' MET . 11.7 mm-40 -64.13 -28.53 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -133.66 86.39 39.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -78.55 2.74 7.85 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.161 2.574 . . . . 0.0 114.848 -167.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.94 23.6 2.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.498 0.666 . . . . 0.0 110.346 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 p -98.68 135.08 40.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.68 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 121.17 23.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG22 HD11 ' A' ' 60' ' ' LEU . 12.1 t -95.76 86.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 62.3 t30 -92.46 105.53 17.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.72 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -108.71 99.65 9.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 111' ' ' GLN . 10.6 mm -110.48 103.08 14.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 134' ' ' VAL . . . -90.79 104.37 3.15 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.673 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 96.3 m-85 -87.85 145.01 26.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.96 0.41 . . . . 0.0 110.767 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 t -147.25 98.57 3.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.401 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.727 ' HA ' ' HB3' ' A' ' 115' ' ' PRO . 12.5 t70 -61.54 121.63 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.369 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -158.52 130.1 6.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.873 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -99.71 12.68 35.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.031 0.444 . . . . 0.0 111.288 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.98 -131.34 6.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.657 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.85 99.94 0.97 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.568 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.14 -34.0 77.35 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -172.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 6.3 p-10 -64.52 -35.58 81.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.341 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.27 -37.37 74.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.833 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -63.17 -44.34 95.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.178 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -35.78 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.185 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 65.4 mtp180 -67.39 -51.32 53.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.381 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.54 -40.04 90.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.713 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -58.91 -46.56 87.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.139 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -65.23 -45.14 85.87 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.027 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -53.04 -50.78 63.58 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.033 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 94' ' ' VAL . 98.8 mtt180 -65.92 -43.84 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.417 -176.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.2 91.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.994 0.426 . . . . 0.0 111.01 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.47 -35.4 75.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.979 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 m -64.0 -36.2 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.591 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 89.4 t -67.08 -44.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.012 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.15 -53.73 53.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.288 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 p -60.18 -33.93 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.223 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 77.9 mt -64.72 -44.01 91.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.762 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.6 mt -56.52 -30.64 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.7 m -61.99 -19.18 62.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.955 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.24 -5.64 54.49 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.872 -0.517 . . . . 0.0 111.123 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.64 36.66 3.21 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.374 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.1 t -99.97 126.85 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.471 ' OD2' ' HD2' ' A' ' 107' ' ' ARG . 8.6 t70 -65.56 134.94 54.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.758 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 108' ' ' ILE . . . -87.21 -2.9 58.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.218 -173.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.9 m -70.39 -29.32 65.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.716 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HD2' ' OD2' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -94.89 5.75 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 105' ' ' ALA . 61.8 mt -101.78 115.5 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.1 mmp_? -103.28 104.54 14.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 p -100.26 103.96 15.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.1 0.476 . . . . 0.0 110.829 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HB2' HD12 ' A' ' 71' ' ' ILE . 48.6 mt-30 -119.76 107.96 13.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.62 -178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.45 94.46 1.98 Allowed Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.6 mt -103.23 0.23 31.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.164 -176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.14 -126.09 33.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.601 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HB3' ' HA ' ' A' ' 75' ' ' ASP . 73.0 Cg_endo -95.18 26.23 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.307 2.671 . . . . 0.0 112.584 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 118' ' ' PRO . . . -63.57 -32.14 73.52 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 91.9 m-20 -114.62 90.81 22.91 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.613 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 116' ' ' ALA . 6.3 Cg_exo -78.93 101.35 1.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.061 2.508 . . . . 0.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 tt -71.88 -26.2 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.864 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -134.15 173.5 11.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 16.4 m -68.63 113.82 6.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.437 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.8 -15.58 54.49 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.607 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.9 m -62.82 -37.25 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.006 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.501 ' HB ' ' OE1' ' A' ' 126' ' ' GLU . 20.5 p -91.84 168.23 11.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.632 -175.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.097 0.475 . . . . 0.0 110.296 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' OE1' ' HB ' ' A' ' 124' ' ' THR . 2.1 pm0 -69.36 -33.3 72.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.35 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -59.14 -48.61 85.09 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.1 -41.2 99.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.642 0.258 . . . . 0.0 110.9 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.55 93.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.36 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.69 -16.22 60.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -88.39 -31.01 19.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 39.7 mtp85 -85.38 83.47 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.277 0.56 . . . . 0.0 111.093 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -156.13 158.74 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.835 -177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.523 ' HA ' ' HA2' ' A' ' 72' ' ' GLY . 50.7 t -97.97 119.4 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -101.22 105.12 16.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.927 0.394 . . . . 0.0 110.207 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.496 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 60.1 mt -99.01 103.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.685 177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 19.9 m -95.93 105.39 17.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.689 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.08 107.03 18.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 109.793 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.5 p -124.0 150.62 63.37 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.569 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.21 126.05 17.03 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.093 1.862 . . . . 0.0 111.628 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.87 99.47 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.5 mt -98.17 158.95 15.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.066 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.417 ' C ' ' H ' ' A' ' 145' ' ' HIS . 0.6 OUTLIER 66.38 -176.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.816 0.698 . . . . 0.0 110.254 178.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 70.31 -34.28 0.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.681 0.792 . . . . 0.0 111.609 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 143' ' ' GLU . 84.7 m-70 -102.33 99.66 9.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 171.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -61.38 -32.83 72.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.494 -173.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 41.55 85.25 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.043 0.839 . . . . 0.0 113.143 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -176.91 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.162 0.506 . . . . 0.0 109.787 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.559 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.506 ' OH ' ' HB3' ' A' ' 63' ' ' TYR . 89.2 t80 -143.83 -54.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.926 0.393 . . . . 0.0 110.391 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 81.5 mmm -66.72 -28.31 68.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.988 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.49 -53.62 48.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.081 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.66 -31.66 49.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.995 0.426 . . . . 0.0 111.175 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.96 -38.7 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.59 -45.24 94.69 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.049 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.02 75.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.221 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -60.35 -52.05 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.142 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD13 HD21 ' A' ' 30' ' ' LEU . 77.9 mt -70.24 -39.25 75.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.362 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HA ' HG21 ' A' ' 21' ' ' VAL . 44.2 ttt180 -63.95 -29.33 70.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.083 0.468 . . . . 0.0 110.927 -177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.62 -33.93 16.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.756 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 45.6 tttm -86.51 -25.87 24.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.504 -174.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.608 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -106.87 19.64 20.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.13 0.49 . . . . 0.0 110.394 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -56.7 -45.91 81.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.312 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.56 20.6 10.16 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.232 -175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -91.25 -20.27 22.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.182 0.515 . . . . 0.0 110.75 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.3 -7.15 39.96 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.957 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 52' ' ' THR . 94.4 t -75.13 115.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 0.0 110.189 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.9 m -86.42 94.46 9.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.465 . . . . 0.0 110.565 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' A' ' 11' ' ' ARG . 4.8 m -77.2 109.72 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.721 0.772 . . . . 0.0 110.716 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.584 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 5.5 m -111.77 150.42 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.173 -176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -111.47 111.41 22.41 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.584 0.23 . . . . 0.0 110.452 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.4 t -124.15 93.96 4.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.009 0.433 . . . . 0.0 110.079 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 -120.29 10.11 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.322 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.44 -5.68 45.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.795 0.331 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -101.21 136.25 41.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.039 0.447 . . . . 0.0 111.242 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.5 mt -92.29 119.94 40.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 49.3 mm -98.03 105.37 17.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.6 mp -91.89 89.92 7.23 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.4 t-20 -82.25 101.44 10.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.812 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.487 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.6 mtp -106.46 101.0 33.23 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.515 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 24.2 Cg_exo -63.74 143.87 87.61 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.567 2.178 . . . . 0.0 111.679 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -55.85 -34.12 65.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.03 -43.0 77.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.927 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.61 -17.59 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 m -89.64 -50.31 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.164 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -105.38 150.9 24.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.575 ' HB3' ' HB ' ' A' ' 44' ' ' THR . 24.3 t70 -64.39 -75.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.534 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -96.46 -65.47 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.344 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 174.25 -23.78 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.489 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 m -73.1 46.59 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.713 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 56.76 23.68 8.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 110.813 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.575 ' HB ' ' HB3' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -80.03 109.97 14.98 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.343 -177.134 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -83.07 109.12 16.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.757 0.313 . . . . 0.0 110.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 49' ' ' GLY . 18.8 ptpt -74.99 150.89 86.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -43.66 -49.78 7.62 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.688 2.926 . . . . 0.0 113.505 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.06 91.92 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.01 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -69.19 -43.17 72.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.955 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.21 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.933 0.396 . . . . 0.0 110.754 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.58 -33.16 75.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.225 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.659 HG21 HG21 ' A' ' 19' ' ' VAL . 85.3 m -66.66 -49.62 65.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.485 HD22 HG13 ' A' ' 94' ' ' VAL . 93.5 mt -59.99 -41.75 92.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.807 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 58' ' ' MET . 24.8 m -61.78 -40.06 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.109 176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.47 99.19 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.135 -0.555 . . . . 0.0 111.955 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' THR . 93.2 t -60.05 -45.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.175 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.06 75.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' THR . 26.1 mmt -65.27 -46.89 78.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.753 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.02 -34.39 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.349 0.595 . . . . 0.0 110.465 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 68' ' ' VAL . 1.6 tt -67.79 -31.09 70.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.838 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -75.28 -28.53 59.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.173 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 58' ' ' MET . 46.7 mt-10 -72.59 -40.16 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.309 175.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HB3' ' OH ' ' A' ' 2' ' ' TYR . 86.5 m-85 -119.67 80.56 23.89 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.644 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 62' ' ' GLU . 3.9 Cg_exo -78.44 9.84 3.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.68 2.92 . . . . 0.0 112.935 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' OH ' ' A' ' 2' ' ' TYR . 31.2 mmmt -95.27 27.54 3.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.074 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -122.21 135.47 54.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -90.71 132.79 35.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.927 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 60' ' ' LEU . 3.1 t -94.42 92.36 3.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.498 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 0.9 OUTLIER -90.21 93.87 9.53 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.7 t -91.16 94.98 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 112.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.364 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.73 131.08 10.46 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.631 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -119.34 158.6 25.79 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 8.6 t -178.55 150.34 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -76.97 144.52 38.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.4 m -89.44 92.39 9.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.003 0.43 . . . . 0.0 111.179 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 p -84.56 104.25 14.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.866 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.19 -107.73 3.02 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.63 138.76 14.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.048 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 115' ' ' PRO . 45.0 m80 -61.78 -48.71 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.629 0.252 . . . . 0.0 111.069 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.34 -42.8 92.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.031 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.37 -43.45 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.128 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -70.37 -31.22 68.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.892 0.377 . . . . 0.0 110.299 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 112' ' ' GLY . 46.4 ttm -63.6 -48.12 78.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.945 173.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -63.2 -38.25 90.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.93 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 64.3 tp -62.04 -45.03 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -66.73 -38.13 86.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.169 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -60.73 -47.4 86.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.225 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.75 -40.17 91.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.595 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 86' ' ' LEU . 96.7 mtt180 -56.53 -54.03 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.949 0.404 . . . . 0.0 110.587 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.39 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.317 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.923 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 t -63.07 -35.0 78.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.966 0.412 . . . . 0.0 110.183 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.485 HG13 HD22 ' A' ' 53' ' ' LEU . 90.1 t -64.71 -44.05 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.951 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.34 94.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.732 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -57.16 -39.23 74.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.94 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.7 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 75.1 mt -62.48 -45.53 92.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.611 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 86.8 mt -59.01 -41.12 82.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.672 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -59.5 -34.74 72.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.191 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -79.88 -8.62 59.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.182 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.15 3.73 12.9 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.378 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 63.1 t -81.45 131.07 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.989 0.394 . . . . 0.0 110.158 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.78 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 111.557 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.25 -14.64 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.3 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -66.9 -11.25 55.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 107' ' ' ARG . 23.0 mtm180 -114.98 10.58 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.256 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.54 135.91 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.981 0.419 . . . . 0.0 111.1 -175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -129.73 114.68 16.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.746 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -97.81 129.5 44.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.71 106.99 9.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.712 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' MET . . . -94.01 71.72 1.23 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.112 173.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.38 -49.33 50.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.978 0.418 . . . . 0.0 110.913 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.52 -113.69 4.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HG3' ' HD2' ' A' ' 80' ' ' HIS . 88.8 Cg_endo -83.08 21.25 1.05 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 123.046 2.497 . . . . 0.0 113.119 -175.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 139.71 38.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 36.47 74.67 0.57 Allowed Pre-proline 0 N--CA 1.47 0.558 0 O-C-N 124.319 1.012 . . . . 0.0 113.43 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.646 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.7 Cg_exo -68.96 132.62 25.04 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.833 2.355 . . . . 0.0 112.509 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.403 HG23 ' NH2' ' A' ' 133' ' ' ARG . 16.3 pt -73.2 -26.38 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -127.01 173.19 9.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.476 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 47.0 t -60.6 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 111.041 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -83.75 -9.84 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.5 t -86.8 -13.14 45.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.263 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.0 p -105.86 149.46 26.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.59 -37.77 87.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 120' ' ' ALA . . . -63.12 -42.75 99.42 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.327 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 62.9 mttm -61.2 -51.38 69.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.442 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.94 97.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.881 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -67.65 -24.25 65.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.501 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.646 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 12.4 t30 -82.64 -16.58 47.8 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.778 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 35.5 mtp180 -75.22 95.24 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 14.1 ptt180 -153.7 148.02 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.277 -169.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.423 HG11 HG21 ' A' ' 94' ' ' VAL . 93.7 t -107.23 106.99 21.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 169.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -101.38 103.7 14.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.404 0.621 . . . . 0.0 110.363 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.4 mt -88.02 106.55 16.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.086 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 62.5 m -93.57 110.39 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.416 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 83.5 mt -87.85 106.07 17.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.916 0.388 . . . . 0.0 109.97 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.3 t -107.03 128.98 25.03 Favored Pre-proline 0 C--N 1.321 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.085 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.33 128.23 28.71 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.817 2.344 . . . . 0.0 112.55 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 67' ' ' ALA . 44.6 mt -89.28 20.72 3.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.957 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.6 mt -55.01 -39.68 69.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -161.16 50.4 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.524 0.678 . . . . 0.0 109.469 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -87.41 -17.02 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -144.32 106.29 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.373 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 147' ' ' HIS . 11.0 t-160 -120.69 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.793 0.33 . . . . 0.0 110.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 146' ' ' HIS . 32.7 t-80 174.28 -33.57 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.256 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -164.34 144.56 7.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.788 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.051 175.002 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 4' ' ' ASP . 81.9 t80 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.455 0.169 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' OH ' ' HG3' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -52.15 -47.9 65.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.716 -176.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 56.7 mtt -103.58 -1.84 27.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.141 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 1' ' ' TYR . 7.8 t70 -59.13 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.141 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 7.7 p -62.36 -34.81 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.779 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.01 -52.17 60.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.313 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 49.7 mt-10 -60.68 -36.26 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.075 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.23 64.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' A' ' 5' ' ' VAL . 5.5 mptp? -67.68 -40.23 84.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.276 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 30' ' ' LEU . 87.7 mt -63.62 -47.6 80.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -63.18 -30.25 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.52 -39.34 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -92.66 -41.17 10.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.518 ' HA ' ' OG1' ' A' ' 17' ' ' THR . 17.0 mmt -76.7 -9.18 58.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.717 0.294 . . . . 0.0 111.733 -172.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -72.0 -18.29 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.587 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.75 -11.84 31.74 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.201 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 14' ' ' MET . 36.3 p -97.72 -42.33 7.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.87 0.367 . . . . 0.0 110.967 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 12.38 27.03 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.645 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.7 t -73.85 127.95 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.131 177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -81.85 98.62 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.44 94.53 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 10.9 m -102.6 111.36 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.254 -173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -91.03 119.29 31.08 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -147.65 103.06 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.627 0.251 . . . . 0.0 110.907 -176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 26' ' ' ASP . . . 64.28 61.67 5.82 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.271 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 14.3 m-20 72.49 -45.5 0.62 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.536 0.735 . . . . 0.0 111.626 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -64.58 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.956 0.408 . . . . 0.0 111.484 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 53.1 mt -102.18 99.09 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.398 173.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -87.11 102.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.1 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 10' ' ' LEU . 94.7 mt -83.9 97.66 9.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.431 HD21 ' NH1' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -88.91 108.64 19.65 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.928 -176.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 86.9 mtp -108.83 101.44 44.06 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.598 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 21.9 Cg_exo -65.29 161.21 38.67 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.47 2.113 . . . . 0.0 111.058 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.86 -34.04 67.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.173 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.411 HD22 HG13 ' A' ' 36' ' ' VAL . 8.0 t30 -53.79 -33.17 55.14 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG13 HD22 ' A' ' 35' ' ' ASN . 32.2 m -109.4 6.49 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 122.229 -0.294 . . . . 0.0 111.64 -176.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -128.2 -63.05 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.83 -173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -102.17 148.24 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.608 -176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.98 -76.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -95.04 -63.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.755 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -164.82 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -77.55 -169.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.542 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 90' ' ' ARG . . . -83.94 31.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 0.0 110.818 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 m -86.07 104.34 15.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.45 131.09 44.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.691 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -72.4 151.31 91.91 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -52.93 -41.08 73.49 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.425 2.084 . . . . 0.0 111.65 175.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.7 84.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -44.57 94.6 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.012 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.16 99.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.89 -35.12 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.583 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -68.72 -44.53 73.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.33 -34.65 75.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.53 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.1 m -63.02 -38.22 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.18 -42.6 96.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.93 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.3 t -62.76 -50.87 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.386 . . . . 0.0 110.27 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.94 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 ttt -61.55 -56.01 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.382 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -72.47 -32.69 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.345 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD11 HG22 ' A' ' 68' ' ' VAL . 1.4 tt -67.08 -30.19 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.276 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -72.43 -38.98 68.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.3 -35.63 68.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -126.05 84.28 61.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -86.82 25.15 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 123.429 2.753 . . . . 0.0 113.17 -173.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.7 mmmm -96.36 19.83 11.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.994 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 p -112.97 129.43 56.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -78.12 118.9 20.82 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 HD11 ' A' ' 60' ' ' LEU . 10.8 t -89.23 92.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -173.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 43.3 m-80 -86.17 101.21 12.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 t -99.47 98.32 6.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.579 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.49 118.17 54.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.119 0.485 . . . . 0.0 110.489 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.9 123.19 6.85 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.806 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 117' ' ' ASN . 82.2 m-85 -112.33 154.81 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 6.6 t -167.26 166.75 14.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.553 ' HB3' ' HG3' ' A' ' 128' ' ' LYS . 3.9 p30 -89.42 -174.07 4.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.657 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.523 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 31.9 p -119.19 19.11 12.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.13 -172.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.2 m -75.56 102.66 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.829 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.14 -120.14 4.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.21 107.44 3.33 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.543 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 21.3 m-70 -57.85 -51.18 70.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.18 -33.73 74.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.328 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.59 -45.9 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.1 0.476 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -62.91 -41.45 99.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.677 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.01 -44.53 65.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.761 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -64.05 -35.42 80.68 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.086 0.469 . . . . 0.0 110.335 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' HG ' ' HD3' ' A' ' 90' ' ' ARG . 59.7 tp -74.5 -34.34 63.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.938 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 t -65.59 -43.25 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -61.71 -46.94 87.5 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.99 -46.94 81.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.797 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' HG ' ' A' ' 86' ' ' LEU . 20.2 mtp180 -55.39 -49.19 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.057 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.09 92.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.195 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.538 ' HA ' HG21 ' A' ' 110' ' ' THR . 8.4 t70 -68.41 -31.24 70.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 -176.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.4 m -65.26 -36.68 84.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.562 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 134' ' ' VAL . 89.5 t -59.97 -43.04 91.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.17 0.51 . . . . 0.0 109.852 174.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -63.34 -42.14 98.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.001 177.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 m -53.44 -41.12 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.689 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -64.67 -51.84 60.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.569 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.74 -49.39 70.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.269 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 88.1 mt -54.44 -46.92 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.131 0.491 . . . . 0.0 110.994 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.6 m -67.02 -29.65 69.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.618 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 12.1 mm100 -91.0 3.49 54.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.98 -12.34 5.85 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.081 -1.057 . . . . 0.0 114.159 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 58.1 t -80.07 136.85 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 117.398 0.599 . . . . 0.0 110.931 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -78.03 136.6 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.474 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.33 -17.73 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -76.82 -20.85 55.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.906 0.384 . . . . 0.0 110.403 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -95.18 4.69 53.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -110.4 138.27 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.196 -176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -122.74 113.21 18.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.683 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 92' ' ' ASP . 22.3 p -105.21 113.68 27.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.268 0.556 . . . . 0.0 111.282 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -126.27 129.1 48.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.796 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.78 76.53 0.24 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 84.7 mt -77.71 -27.3 50.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.574 0.226 . . . . 0.0 111.36 -175.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.83 -118.64 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.503 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -90.02 12.72 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.991 2.461 . . . . 0.0 112.833 -177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -61.84 -41.57 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.711 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 34.5 m-80 -131.86 90.04 37.14 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.396 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.41 163.64 34.07 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.993 2.462 . . . . 0.0 111.857 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.522 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 13.0 tt -106.08 -28.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -132.57 -174.92 3.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.161 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 p -66.46 135.93 54.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -82.89 -20.52 35.3 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.5 t -75.89 -9.89 58.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.063 -176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.5 p -109.92 137.52 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.66 78.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 0.0 110.552 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.5 -51.43 56.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.351 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.26 -40.38 97.88 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.772 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.553 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 31.8 ttmt -60.39 -42.39 95.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.745 0.307 . . . . 0.0 111.08 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.74 77.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.734 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -75.7 -23.9 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.477 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -68.57 -22.51 64.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 30.7 mtp85 -77.08 92.5 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 172.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 23.8 ptt180 -148.54 171.17 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.685 -166.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.422 HG11 HG21 ' A' ' 94' ' ' VAL . 62.0 t -117.15 114.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.125 171.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.8 102.67 13.32 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.85 0.357 . . . . 0.0 110.148 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 64.1 mt -95.64 97.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 38.6 m -89.6 103.91 16.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.699 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 93.3 mt -84.86 94.06 8.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.199 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 p -101.02 148.45 35.11 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.886 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -59.95 134.66 58.03 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.227 1.951 . . . . 0.0 111.69 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 65' ' ' LYS . 14.3 mt -64.23 117.29 6.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.1 154.89 41.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.913 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.34 120.19 17.6 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -114.48 60.53 0.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.215 0.531 . . . . 0.0 109.699 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -130.28 -2.4 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.118 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -86.38 78.84 9.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.797 0.808 . . . . 0.0 112.567 -172.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -96.04 -36.53 10.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 167.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 57.31 -98.97 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.429 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.369 -177.047 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.091 0.472 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' ASP . 43.0 t80 -170.78 163.17 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.9 tpt 74.58 -36.14 0.32 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.575 0.547 . . . . 0.0 110.941 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TYR . 12.1 t70 -53.89 -57.87 9.36 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 123.398 0.679 . . . . 0.0 111.352 177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.9 p -65.43 -28.94 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.335 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -57.61 -50.45 73.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.497 0.665 . . . . 0.0 110.017 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.67 -39.94 94.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.31 85.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.587 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE3' HG22 ' A' ' 5' ' ' VAL . 98.0 mttt -65.89 -39.83 90.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.836 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.03 -39.56 87.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -59.7 -50.41 73.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.728 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.47 -23.87 60.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.311 . . . . 0.0 110.856 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -73.06 -44.04 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.541 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.619 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 19.2 mmt -87.69 8.25 26.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.507 0.67 . . . . 0.0 110.587 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -72.92 83.38 1.22 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.203 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.1 21.97 6.09 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.081 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 p -115.42 1.8 13.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 111.118 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.56 -25.5 11.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.053 -176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 58.4 t -67.68 120.96 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.053 0.454 . . . . 0.0 109.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 13.7 m -97.75 123.09 41.55 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.242 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.6 t -95.05 98.8 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.961 0.41 . . . . 0.0 109.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 22.0 m -99.08 126.54 44.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.786 -176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 25' ' ' GLY . 7.5 tpp85 -89.96 127.66 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.902 0.382 . . . . 0.0 111.047 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.8 t -125.16 91.47 3.43 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' HD2' ' A' ' 23' ' ' ARG . . . 72.03 -104.01 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.498 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 20.6 m-20 -117.56 24.78 10.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.459 0.647 . . . . 0.0 109.275 173.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.9 131.12 55.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.837 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 47.1 mt -100.46 107.48 21.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.763 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 65.4 mt -97.29 107.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 120.862 0.363 . . . . 0.0 110.437 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.82 104.41 16.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.921 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 17.0 m120 -77.74 97.68 5.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.5 176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 86.0 mmm -86.79 112.91 50.32 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.413 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' MET . 9.6 Cg_exo -72.64 134.49 22.26 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.885 2.39 . . . . 0.0 111.921 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -65.31 -15.44 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.961 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.75 -40.56 72.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.504 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.84 -42.31 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.57 ' O ' ' HA3' ' A' ' 49' ' ' GLY . 14.4 m -67.37 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 111.049 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 96.3 m-85 -102.71 -173.75 2.4 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.925 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.5 162.38 17.27 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 166.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.4 m -60.13 -20.31 57.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.694 0.283 . . . . 0.0 111.525 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.7 t -125.48 151.42 46.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.681 0.277 . . . . 0.0 110.53 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m 66.03 -171.01 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.994 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.09 36.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.366 0.603 . . . . 0.0 110.032 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 84.2 m -78.91 108.64 12.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.835 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -83.42 113.97 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 18.9 pttp -94.51 162.42 25.94 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.382 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 46' ' ' LYS . 92.4 Cg_exo -42.96 -42.36 9.23 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.596 2.864 . . . . 0.0 113.91 -177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 111.026 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 37' ' ' THR . . . -71.41 -41.12 59.18 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.005 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.21 96.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.829 0.347 . . . . 0.0 110.634 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.33 -43.87 97.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.577 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 56' ' ' VAL . 41.5 m -61.3 -46.89 88.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.789 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.61 -38.46 89.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.1 m -64.71 -36.93 85.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.08 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.89 98.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.613 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' THR . 72.8 t -60.21 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.146 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -61.47 -32.18 72.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.844 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.39 -50.67 71.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 0.0 110.352 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 t -74.02 -30.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -35.56 79.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.215 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -73.89 -28.79 61.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.21 -48.9 69.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.993 175.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -121.04 80.96 35.2 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.121 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.84 15.55 2.04 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.754 2.303 . . . . 0.0 113.154 -174.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 141' ' ' LEU . 1.1 mptm? -86.82 13.89 8.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.9 p -111.7 132.13 54.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.545 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -80.01 128.96 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -93.85 103.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.793 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 44.4 m-80 -96.21 107.14 19.43 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.8 t -102.52 101.25 11.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG23 ' HG3' ' A' ' 111' ' ' GLN . 17.2 mt -107.27 115.56 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.35 109.35 3.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.915 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.852 ' HA ' ' HA2' ' A' ' 114' ' ' GLY . 96.6 m-85 -94.56 150.73 19.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 132' ' ' ARG . 10.2 t -166.26 143.06 5.07 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.677 -177.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.863 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -63.27 148.32 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.29 175.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -88.43 -9.93 50.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.141 -168.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.701 HG22 ' OD2' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -83.29 142.3 31.2 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.232 0.539 . . . . 0.0 110.279 -179.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.52 0.8 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.72 101.34 0.62 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 84' ' ' MET . 39.8 m80 -47.78 -71.23 0.07 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 4.4 p-10 -69.77 -30.57 68.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.782 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.7 tm? -65.11 -47.15 78.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.888 0.375 . . . . 0.0 110.307 -177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.39 -35.44 77.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.257 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 66.5 mtt -65.13 -47.62 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 46.1 mtt180 -57.4 -49.06 77.4 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.006 0.431 . . . . 0.0 110.805 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.76 -42.17 95.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.118 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -68.69 -38.0 79.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.4 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -61.65 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.037 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -66.03 -40.42 91.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.427 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -59.27 -48.28 82.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.507 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.8 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.495 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.54 -39.35 93.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.2 t -64.46 -36.96 85.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 94.6 t -65.06 -47.04 89.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.974 0.416 . . . . 0.0 110.19 175.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -59.3 -46.24 89.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.898 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.8 m -59.08 -36.92 75.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.53 99.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.127 0.489 . . . . 0.0 110.42 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 57' ' ' ALA . 65.3 mt -68.44 -40.85 80.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.394 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 95' ' ' ALA . 80.9 mt -61.38 -29.65 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.381 177.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 46.4 m -65.1 -30.69 71.66 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.088 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG3' ' CB ' ' A' ' 57' ' ' ALA . 82.5 mm-40 -85.35 -18.87 32.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.423 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.7 24.13 2.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.012 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.49 135.54 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 1.8 m-20 -59.37 133.62 56.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.015 0.436 . . . . 0.0 110.465 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -86.08 1.55 49.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.514 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' ASP . 22.2 ttm-85 -96.72 -2.13 45.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 109.06 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.0 mt -119.34 135.65 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.052 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -113.0 108.5 17.43 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 p -101.71 130.78 48.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.185 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' A' ' 71' ' ' ILE . 4.1 pt20 -148.26 148.59 30.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.093 0.473 . . . . 0.0 110.988 177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.68 55.37 0.51 Allowed Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.759 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 48.7 mt -84.78 67.97 10.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.041 0.448 . . . . 0.0 110.109 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.852 ' HA2' ' HA ' ' A' ' 73' ' ' TYR . . . -64.73 -69.41 1.34 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.249 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.17 -9.89 27.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.909 2.406 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -94.33 145.96 24.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m120 62.23 68.42 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 123.471 0.482 . . . . 0.0 110.106 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.15 110.91 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.076 2.517 . . . . 0.0 112.88 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.2 mt -64.39 -43.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.368 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.74 -169.11 2.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.266 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.5 t -72.9 120.69 18.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.001 0.429 . . . . 0.0 110.522 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -81.24 -3.27 51.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.365 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -83.88 -15.42 48.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.238 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.3 p -117.81 136.91 53.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.541 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.61 -26.84 68.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.595 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -67.4 -44.68 78.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.05 -41.32 98.57 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.928 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 36.5 mtmt -71.22 -25.6 62.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.803 0.335 . . . . 0.0 111.313 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.62 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.104 0.478 . . . . 0.0 110.011 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.22 -29.54 57.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.029 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.614 ' O ' ' HG2' ' A' ' 133' ' ' ARG . 17.8 t-20 -64.23 -38.38 90.83 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.285 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 74' ' ' THR . 28.6 mtm180 -62.2 102.21 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 110.707 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 131' ' ' ASN . 8.7 ptp180 -168.35 176.12 6.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.181 -174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.14 109.14 20.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 133' ' ' ARG . 43.7 mt-10 -101.62 119.09 38.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.15 0.5 . . . . 0.0 110.761 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.75 105.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.872 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.503 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 17.7 m -92.22 105.75 17.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.481 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 86.3 mt -88.13 106.04 17.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.751 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 t -114.66 139.8 24.52 Favored Pre-proline 0 C--N 1.317 -0.826 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.36 130.1 34.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.444 2.096 . . . . 0.0 111.748 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.545 HD23 ' HB2' ' A' ' 67' ' ' ALA . 42.8 mt -51.25 111.95 0.65 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.368 0.417 . . . . 0.0 111.654 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.95 -179.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.526 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.64 52.8 0.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -172.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -93.51 -17.32 23.52 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -64.11 148.11 50.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.196 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -60.04 102.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.189 0.519 . . . . 0.0 111.501 -170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.48 75.54 3.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 51.49 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.747 0.654 . . . . 0.0 111.958 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.213 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 9.1 t80 77.97 -49.24 0.49 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.628 0.771 . . . . 0.0 110.661 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.1 mmm -75.91 -24.32 55.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.965 0.412 . . . . 0.0 110.675 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.17 -35.22 68.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.19 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.4 p -72.46 -25.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.891 0.377 . . . . 0.0 110.127 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.22 -41.68 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.039 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 11' ' ' ARG . 12.9 tm-20 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.31 177.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.259 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -59.38 -47.22 86.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.165 0.507 . . . . 0.0 110.908 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 30' ' ' LEU . 86.3 mt -71.89 -30.58 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.767 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 7' ' ' GLU . 5.3 tpm_? -58.44 -38.41 77.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.364 177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.61 -48.04 35.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.321 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -70.86 -35.59 72.45 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mmt -98.75 32.79 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -47.26 -54.04 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.56 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.23 66.72 0.3 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.811 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 p -112.79 -29.75 7.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.802 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.02 -8.81 10.48 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 52' ' ' THR . 86.8 t -85.25 108.29 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.103 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 m -82.65 112.35 19.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 -178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -97.64 107.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.854 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -108.73 126.06 52.6 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.014 0.435 . . . . 0.0 111.298 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 12.9 tpt180 -91.67 108.31 19.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.925 177.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -135.12 117.33 15.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.532 0.206 . . . . 0.0 110.768 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' ASN . . . 58.44 42.55 95.85 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 121.158 -0.544 . . . . 0.0 111.917 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 3.3 m-20 71.09 -30.58 0.21 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.628 0.771 . . . . 0.0 112.325 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 25' ' ' GLY . 86.5 m-20 -61.74 140.61 58.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.032 0.444 . . . . 0.0 110.546 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 22.6 mm -97.9 106.88 19.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.426 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 137' ' ' THR . 4.2 mp -99.71 108.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.91 0.386 . . . . 0.0 110.308 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD11 HD13 ' A' ' 10' ' ' LEU . 10.0 mp -90.23 100.13 13.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.961 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 2.9 m120 -81.54 90.93 6.29 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.63 ' HG2' HG13 ' A' ' 19' ' ' VAL . 75.1 mtp -100.34 106.14 40.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.688 -175.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 17.2 Cg_exo -67.05 150.33 82.54 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.756 2.304 . . . . 0.0 111.949 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' ND2' ' HD3' ' A' ' 132' ' ' ARG . 26.8 p-10 -63.96 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -57.81 -44.37 86.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.678 -177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.96 -29.1 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -91.02 -42.35 10.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.897 -173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -120.08 -171.58 2.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.599 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 21.4 t70 -78.55 137.21 37.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 165.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -52.13 -41.64 62.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 m -106.93 5.94 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 7.5 m -122.06 -164.9 1.2 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.201 0.524 . . . . 0.0 111.301 -174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.18 18.12 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -92.73 146.48 23.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.938 -177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -78.05 122.14 25.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HG3' ' HD2' ' A' ' 47' ' ' PRO . 36.1 ttpt -83.55 140.97 41.53 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD2' ' HG3' ' A' ' 46' ' ' LYS . 51.1 Cg_exo -39.4 -42.24 2.49 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.518 2.812 . . . . 0.0 114.026 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.46 69.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.188 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.86 -34.03 59.51 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.081 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.2 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.001 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.91 -37.12 86.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.172 0.511 . . . . 0.0 109.758 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.694 HG21 HG21 ' A' ' 19' ' ' VAL . 88.1 m -59.08 -49.84 76.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.65 175.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.55 -34.18 77.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.6 m -60.31 -42.51 95.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -62.79 -45.61 95.36 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.85 177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 46.8 t -61.9 -44.33 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.364 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -58.56 -41.81 86.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 -178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.1 ttp -66.06 -35.92 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.969 0.414 . . . . 0.0 110.165 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLY . 78.1 t -67.92 -36.38 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.186 175.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 89.2 mt -68.44 -28.59 67.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 57' ' ' ALA . 59.4 mtpt -75.79 -26.67 57.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.092 0.472 . . . . 0.0 110.026 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -80.19 -35.64 36.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.182 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -134.62 83.58 41.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.363 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.52 29.78 0.53 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.18 2.586 . . . . 0.0 112.97 -177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -104.49 17.46 24.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.057 0.456 . . . . 0.0 110.689 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.3 p -114.13 123.98 50.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.82 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 138' ' ' LEU . . . -68.13 118.0 10.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 108' ' ' ILE . 21.7 t -85.66 86.68 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.378 0.609 . . . . 0.0 109.477 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -92.25 97.58 10.98 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.772 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.97 101.88 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.685 -174.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.78 111.75 28.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.171 0.51 . . . . 0.0 109.667 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.95 108.5 3.34 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.081 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.96 167.73 11.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.979 0.418 . . . . 0.0 110.113 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 4.3 t -173.65 159.03 3.47 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -82.94 161.44 21.82 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 24.4 m -75.64 67.88 2.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 0.0 112.087 -173.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.3 m -91.23 101.3 14.02 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.41 -127.85 9.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.822 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -110.87 164.83 12.14 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.696 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -67.26 -38.73 85.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.03 0.415 . . . . 0.0 110.356 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -65.4 -35.49 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.253 176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 79' ' ' GLY . 93.1 mt -69.65 -34.48 74.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.148 0.499 . . . . 0.0 110.147 177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.53 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 1.1 m-80 -65.3 -43.73 90.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.112 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.54 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 39.1 tpp -55.03 -49.99 70.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.703 176.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -66.8 -44.25 81.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.751 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.79 -46.8 86.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.726 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.4 m -72.99 -26.96 61.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.353 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -61.55 -54.6 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -66.58 -31.91 72.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.46 -53.95 51.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -35.25 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.925 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.49 -38.77 91.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.612 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.3 m -62.01 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.182 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.5 t -61.52 -50.57 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.542 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 110' ' ' THR . . . -59.94 -52.43 65.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.786 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -56.91 -36.18 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -62.82 -48.7 77.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.534 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 80.3 mt -63.94 -46.24 85.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 76.4 mt -58.37 -40.89 79.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.539 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.7 m -63.6 -35.53 80.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.977 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 84.7 mm-40 -68.99 -24.06 64.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.03 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.15 -0.73 4.86 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.962 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 32.9 t -78.07 143.57 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.16 143.49 47.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.56 -31.58 62.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.1 p -80.66 -5.24 56.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.029 0.443 . . . . 0.0 111.191 -174.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -99.59 -4.49 30.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.005 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' HA ' ' HB ' ' A' ' 68' ' ' VAL . 55.8 mt -111.63 105.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.356 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 109' ' ' ARG . 37.4 ttm180 -93.03 115.8 28.45 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.484 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.0 p -110.95 105.77 14.66 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.042 0.449 . . . . 0.0 111.442 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -125.73 116.03 20.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.944 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 84' ' ' MET . . . -94.29 69.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.126 -176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 94.0 mt -59.94 -27.1 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 77.11 -114.68 4.11 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.509 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 86.1 Cg_endo -84.27 2.33 8.21 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.821 2.347 . . . . 0.0 112.416 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -75.42 132.98 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.938 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 94.7 m-20 68.41 84.81 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.845 0.715 . . . . 0.0 110.58 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.06 124.84 12.71 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.693 2.262 . . . . 0.0 112.091 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.0 mt -76.92 -26.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.77 169.72 22.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.042 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 m -63.31 111.23 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -71.44 1.15 6.79 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 111.522 -175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.2 p -84.58 -10.26 57.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -101.95 147.39 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.229 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.53 -48.13 76.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.634 -176.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.28 -38.79 68.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.354 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.57 -40.71 96.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.588 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -68.08 -39.28 82.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.292 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.34 64.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.991 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -89.59 -21.33 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.776 0.322 . . . . 0.0 110.61 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -24.49 60.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 4.6 ptp180 -78.24 81.34 4.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.815 0.817 . . . . 0.0 110.342 174.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -150.82 171.08 17.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.952 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.92 115.29 48.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 36.4 mt-10 -102.07 105.14 15.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 0.0 110.52 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.11 110.87 20.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.571 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.576 HG23 HG13 ' A' ' 29' ' ' ILE . 24.9 m -102.1 113.12 26.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 6.2 mp -92.31 112.06 23.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.191 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.7 t -113.52 144.86 32.16 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.548 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.25 119.1 5.6 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.574 2.183 . . . . 0.0 112.257 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.46 75.64 4.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 110.246 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.0 pp -115.96 -3.51 12.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.939 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.64 111.44 19.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.746 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 50.2 m80 -142.02 22.02 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.995 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 55.1 m-70 72.43 -63.11 0.44 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.479 0.711 . . . . 0.0 111.705 -178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -115.74 157.75 23.85 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -131.35 -69.71 0.62 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.335 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 60.28 -90.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.612 -175.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.621 0.248 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -57.97 -58.78 6.92 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.3 mmt -74.99 -24.75 58.47 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.93 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.36 -66.23 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.843 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' HE3' ' A' ' 9' ' ' LYS . 14.6 p -64.18 -32.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.02 -46.79 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.117 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.11 -41.63 99.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.88 79.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HE3' HG22 ' A' ' 5' ' ' VAL . 84.8 mttt -69.82 -39.35 76.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.978 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -73.54 -9.81 59.07 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 120.942 0.401 . . . . 0.0 111.388 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -95.9 -37.83 10.53 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.85 -25.05 48.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -97.12 -15.81 20.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.21 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 tpp -115.21 36.6 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.59 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -51.37 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.589 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -119.75 39.22 2.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.783 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -76.72 -24.35 53.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.512 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.587 ' HA3' HG11 ' A' ' 36' ' ' VAL . . . 120.3 -9.75 10.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.743 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.6 t -93.77 135.72 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -100.69 127.25 47.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.18 102.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 15.4 m -95.89 114.36 26.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.409 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.742 ' NH1' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -103.01 101.64 11.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -117.04 130.97 57.02 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.8 -108.83 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.449 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.742 ' HA ' ' NH1' ' A' ' 23' ' ' ARG . 14.8 m-20 -136.98 33.99 2.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.348 0.594 . . . . 0.0 109.451 171.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -109.99 139.37 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.312 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.1 mm -92.42 100.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.9 mt -102.76 114.35 42.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.692 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.44 103.0 15.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.701 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 53.7 t-20 -81.86 102.19 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 77.3 mtp -105.57 103.28 42.51 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.121 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 23.9 Cg_exo -63.83 145.36 90.51 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 111.244 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -57.26 -25.2 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.66 -175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' N ' HD22 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -62.55 -35.95 81.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.735 -175.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.587 HG11 ' HA3' ' A' ' 18' ' ' GLY . 27.1 m -104.66 4.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.0 111.617 -173.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.5 m -117.17 -47.5 2.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.045 0.45 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' O ' ' HE3' ' A' ' 46' ' ' LYS . 86.6 m-85 -117.27 169.23 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.088 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -85.7 -148.88 0.12 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.913 0.387 . . . . 0.0 110.001 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 m -59.78 -39.66 85.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.234 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 t -155.53 178.54 10.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t 61.05 -161.4 0.29 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.13 65.46 0.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.432 0.634 . . . . 0.0 109.746 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 38' ' ' PHE . 3.5 p -99.29 100.45 11.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.397 -177.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.26 110.57 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.696 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HE3' ' O ' ' A' ' 38' ' ' PHE . 16.6 ptpt -78.74 156.6 77.55 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.05 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -44.96 -47.33 12.1 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 113.338 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.29 96.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 46' ' ' LYS . . . -65.48 -39.92 95.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.965 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.6 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.695 0.283 . . . . 0.0 110.863 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -61.57 -41.48 97.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.212 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.3 m -58.74 -50.19 74.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.958 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.8 -33.88 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 58' ' ' MET . 60.8 m -62.71 -42.38 99.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.765 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.1 -43.09 99.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.845 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -63.67 -43.2 98.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.773 0.321 . . . . 0.0 110.393 177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.25 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.329 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 54' ' ' THR . 91.7 mtp -59.45 -47.47 85.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 110.225 177.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.87 -42.94 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.768 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.49 -21.45 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.29 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -81.39 -40.21 23.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.264 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 58' ' ' MET . 15.1 mm-40 -73.69 -29.46 62.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -118.25 86.28 26.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 107' ' ' ARG . 86.5 Cg_endo -85.58 22.54 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.228 2.619 . . . . 0.0 113.334 -173.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 141' ' ' LEU . 30.7 mmtp -113.89 20.78 15.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 110.199 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.6 p -107.94 138.78 43.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.0 125.35 40.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.12 97.65 6.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.331 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 3.9 t-20 -90.27 105.7 17.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' A' ' 110' ' ' THR . 24.1 t -104.78 100.9 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 110.356 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.5 mt -99.55 121.25 49.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.995 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.72 118.04 5.5 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.992 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -108.77 161.1 15.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 132' ' ' ARG . 12.5 t -175.24 166.73 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' ' 128' ' ' LYS . 16.5 p-10 -85.61 -179.62 6.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 m -88.31 82.34 7.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 -42.22 50.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.381 -175.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.37 -64.64 0.14 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.318 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.85 170.17 34.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.471 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -52.89 -60.04 3.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.689 0.396 . . . . 0.0 111.388 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 9.0 m-20 -65.15 -45.47 84.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.105 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.42 -47.1 76.47 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.407 0.442 . . . . 0.0 112.149 -178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' LEU . 11.2 m120 -79.61 -23.55 42.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -176.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 17.0 mmt -67.76 -41.01 83.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.27 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -79.48 -31.77 42.41 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.901 176.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 63.3 tp -59.7 -45.95 90.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.776 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 p -70.1 -37.22 75.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.023 0.44 . . . . 0.0 110.342 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -63.54 -42.6 98.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.571 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 98.2 mt-30 -60.23 -45.46 93.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.926 0.393 . . . . 0.0 110.658 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.05 -43.94 97.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.442 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.45 86.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 110.421 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.57 -39.87 84.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -59.58 -45.9 90.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.244 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG21 HG11 ' A' ' 134' ' ' VAL . 91.5 t -60.01 -48.64 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.44 -48.53 80.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.0 m -59.7 -37.8 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.982 -178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 101' ' ' GLN . . . -63.57 -46.09 87.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.406 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 89.1 mt -62.08 -46.98 86.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.751 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 95' ' ' ALA . 76.0 mt -58.03 -41.65 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.3 m -63.96 -29.63 70.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 97' ' ' ALA . 74.9 mm-40 -83.95 -4.38 58.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.9 26.94 5.87 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.472 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.9 129.44 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 175.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.578 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 6.9 m-20 -60.83 125.96 25.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.69 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.62 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.295 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 m -63.86 -26.07 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.578 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 50.8 mtp180 -90.01 -11.99 39.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.195 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.36 131.98 49.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.838 0.352 . . . . 0.0 111.273 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 1.2 tpm_? -126.49 105.03 8.47 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 70' ' ' VAL . 3.1 p -95.66 129.41 42.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.419 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -138.74 115.43 10.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.89 106.15 3.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.595 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 93.7 mt -105.93 -23.64 12.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.48 ' HA3' ' HD3' ' A' ' 115' ' ' PRO . . . 60.69 -120.4 22.67 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.845 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HD3' ' HA3' ' A' ' 114' ' ' GLY . 10.3 Cg_endo -89.81 23.21 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.642 2.895 . . . . 0.0 112.657 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.514 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -69.36 -33.54 73.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.198 0.523 . . . . 0.0 110.674 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.29 98.75 18.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.994 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.593 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 12.4 Cg_exo -70.93 118.55 5.75 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 123.031 2.488 . . . . 0.0 112.415 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.618 ' HB ' ' NH1' ' A' ' 133' ' ' ARG . 8.2 tt -76.17 -37.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.638 . . . . 0.0 109.549 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.23 172.35 11.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.912 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.0 m -69.52 106.74 3.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.64 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.413 HD22 ' HB3' ' A' ' 118' ' ' PRO . 8.5 m-80 -70.49 -10.28 58.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.039 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 p -66.21 -31.06 71.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.152 173.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 58.3 p -93.06 140.88 29.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.739 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.43 -31.31 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.18 -50.98 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -65.03 -31.31 80.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.985 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 52.9 tttm -61.67 -43.09 99.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.071 0.462 . . . . 0.0 109.899 176.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.64 67.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.33 -26.01 68.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.571 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 5.1 t30 -78.41 -6.77 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.726 -176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.571 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 95.6 mtt180 -86.46 88.92 7.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.618 ' NH1' ' HB ' ' A' ' 119' ' ' ILE . 20.8 ptt-85 -144.63 151.25 38.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.186 0.517 . . . . 0.0 111.224 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 94' ' ' VAL . 58.1 t -102.31 111.74 33.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -97.04 103.82 15.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 60.4 mt -96.61 101.3 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.179 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.555 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 63.1 m -94.84 108.77 20.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.449 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.24 113.85 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.079 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 p -120.87 155.38 57.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.489 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.87 144.12 47.29 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.339 2.026 . . . . 0.0 111.877 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' LYS . 21.7 mt -78.12 45.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.664 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.8 mt 58.62 -171.82 0.11 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.102 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -83.17 105.57 14.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -124.04 27.82 7.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.032 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -62.67 -27.65 69.38 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 111.001 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -80.77 102.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.409 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -167.71 135.7 2.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.439 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.12 -18.04 14.0 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.276 0.56 . . . . 0.0 109.547 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.627 176.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.436 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 76.5 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 5' ' ' VAL . 19.9 t80 -172.69 -67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 40.4 ttm -75.39 -25.8 57.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.613 0.72 . . . . 0.0 109.659 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' OD2' ' HA ' ' A' ' 1' ' ' TYR . 1.6 p-10 -65.77 -40.37 91.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.584 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 2' ' ' TYR . 9.8 p -72.67 -24.24 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.339 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 63' ' ' TYR . 96.0 mt-30 -61.68 -41.96 98.28 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 34.8 tt0 -59.87 -44.12 94.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.269 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.28 86.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.16 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 5' ' ' VAL . 35.9 mmtp -63.08 -40.8 98.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.203 0.525 . . . . 0.0 110.306 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD13 HD21 ' A' ' 30' ' ' LEU . 97.6 mt -74.73 -27.94 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.335 -177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 37.1 mmt180 -66.17 -33.39 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 110.066 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.57 -50.22 46.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.162 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -76.11 -51.18 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.851 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.0 mmt -103.83 47.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.019 0.438 . . . . 0.0 110.857 -171.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -71.39 -38.13 71.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.206 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.85 41.9 0.64 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.431 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -91.21 -21.3 21.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.929 0.395 . . . . 0.0 111.155 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.51 -28.83 6.62 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.91 110.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 m -83.02 111.43 18.85 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -172.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.51 101.38 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.581 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 8.6 m -102.52 106.07 16.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 -175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -89.13 114.56 25.85 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.2 m -115.67 99.52 7.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.35 -112.11 4.66 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -172.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -95.54 -42.67 8.32 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -56.22 129.56 40.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.851 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -97.9 121.56 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.169 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.581 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 62.0 mt -108.84 106.59 20.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.302 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.739 HD21 HD13 ' A' ' 10' ' ' LEU . 76.8 mt -82.46 104.07 12.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.207 0.527 . . . . 0.0 109.709 175.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.609 ' OD1' ' HD3' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -84.77 104.93 15.16 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.492 -176.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HB3' ' HB ' ' A' ' 134' ' ' VAL . 57.8 tpp -97.22 119.41 63.21 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.515 -174.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.9 131.91 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.674 2.25 . . . . 0.0 111.073 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.42 9.14 2.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.639 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -97.53 -38.95 9.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 111.78 -178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.1 -32.87 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -172.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.92 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 55.3 m -100.05 -38.32 8.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.088 0.471 . . . . 0.0 111.225 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.4 172.47 6.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.631 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 0.3 OUTLIER -100.23 138.36 37.41 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 167.286 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -38.39 -68.56 0.15 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.195 0.934 . . . . 0.0 113.271 -168.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -107.08 -11.25 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.653 0.263 . . . . 0.0 111.679 -175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 10.3 t -81.34 -28.82 34.33 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.74 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.53 22.46 13.2 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.694 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 m -81.83 133.56 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 mt -75.97 106.84 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -81.83 151.42 67.54 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.03 -51.82 4.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.884 3.056 . . . . 0.0 114.352 -174.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.42 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.052 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.92 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -69.16 -37.45 81.73 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.27 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.66 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.743 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -72.05 -28.68 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.538 178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.4 m -64.11 -46.31 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.063 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.42 -33.36 75.38 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.708 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 101' ' ' GLN . 39.1 m -58.73 -42.72 89.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.308 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.67 -42.08 98.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.033 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -62.31 -46.3 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.34 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.538 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.47 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 59.6 mtt -67.93 -39.17 83.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 80.8 t -67.3 -40.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.229 0.538 . . . . 0.0 110.149 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.85 -20.29 63.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.819 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -86.34 -25.13 25.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.142 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 58' ' ' MET . 58.0 mt-10 -61.04 -43.26 99.15 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' HB2' HE21 ' A' ' 6' ' ' GLN . 9.1 m-85 -128.73 83.29 66.62 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.589 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.06 25.81 0.56 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.677 2.251 . . . . 0.0 112.538 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -103.86 13.55 32.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.232 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -119.17 134.46 55.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -76.81 126.9 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.892 177.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.1 t -93.79 97.14 6.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.333 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -90.83 104.19 16.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.021 0.439 . . . . 0.0 109.925 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.6 t -90.77 97.43 7.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.8 mt -93.61 109.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.32 126.66 8.43 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.5 -175.97 2.86 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 171.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.496 HG22 ' HA2' ' A' ' 114' ' ' GLY . 12.0 t -176.85 168.42 2.52 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.826 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.07 -178.6 7.01 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.742 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -80.25 73.89 7.09 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.322 0.582 . . . . 0.0 110.232 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.1 m -82.38 87.5 6.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.263 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.94 -128.61 9.65 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.884 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.44 -178.43 51.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.82 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.58 -54.28 8.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 0.0 110.42 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.04 -27.48 66.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.999 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.11 -58.28 9.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.493 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -67.8 -29.49 68.68 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.765 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.43 -40.83 96.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 0.0 110.142 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -49.36 75.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.198 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.2 mm? -60.7 -37.53 81.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -55.67 31.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.25 -36.61 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.492 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -63.42 -41.68 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.902 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 78.5 mtt180 -62.02 -42.14 98.84 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.874 0.368 . . . . 0.0 110.101 177.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.17 90.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.747 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.32 -39.51 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.748 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.7 m -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 t -63.19 -48.75 86.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 120.987 0.422 . . . . 0.0 110.053 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.82 -47.34 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.995 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -55.99 -43.32 77.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -51.92 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.389 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 94' ' ' VAL . 69.7 mt -55.0 -52.66 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.714 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 81.6 mt -56.59 -44.66 81.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.19 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.5 m -71.29 -27.52 63.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.357 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -86.14 0.15 54.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.68 -7.96 7.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.922 -1.132 . . . . 0.0 113.989 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 33.4 t -83.6 133.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 117.346 0.573 . . . . 0.0 110.59 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.423 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 9.9 t70 -65.84 137.27 57.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.105 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.57 60.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 p -59.7 -40.14 86.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.534 ' HD2' ' H ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -102.37 18.72 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 111.615 -173.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.76 107.21 22.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -107.91 125.41 51.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.33 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.7 p -107.19 124.95 50.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -130.07 108.1 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.94 121.06 5.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.53 175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.8 mt -118.3 -35.95 3.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.658 0.266 . . . . 0.0 110.702 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.496 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 67.14 -110.29 3.39 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.99 176.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.04 0.31 9.88 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.997 2.464 . . . . 0.0 112.448 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -79.22 122.52 26.39 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.029 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.05 75.81 0.37 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.66 0.743 . . . . 0.0 109.876 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 2.7 Cg_exo -76.64 138.16 18.93 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 122.979 2.453 . . . . 0.0 112.465 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.69 -23.24 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.563 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -139.54 176.85 8.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.55 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 11.5 p -74.91 100.18 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.856 0.36 . . . . 0.0 110.482 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.11 -3.37 29.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.2 m -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.415 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.494 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 70.3 p -92.04 168.0 11.69 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.505 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.61 -26.65 68.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.696 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.68 -52.69 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.521 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -67.86 -32.99 78.67 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.383 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 124' ' ' THR . 63.8 mttm -62.17 -43.2 99.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.281 0.563 . . . . 0.0 109.734 177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.16 -11.52 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.411 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -93.72 -35.58 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.472 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.9 t30 -81.84 -11.17 59.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.714 -171.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 74' ' ' THR . 12.3 ptm180 -75.77 87.06 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.836 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.609 ' HD3' ' OD1' ' A' ' 31' ' ' ASN . 14.2 ptp180 -157.14 168.15 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 32' ' ' MET . 42.4 t -123.98 117.16 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.586 175.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 51.0 mt-10 -99.63 108.08 20.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.137 0.494 . . . . 0.0 111.149 -177.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 58.4 mt -87.32 100.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.572 HG23 HG12 ' A' ' 29' ' ' ILE . 16.8 m -106.59 112.36 25.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 -174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.42 143.92 27.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.979 0.419 . . . . 0.0 110.722 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.0 m -135.03 152.7 77.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.231 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.82 131.63 23.02 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.582 2.188 . . . . 0.0 112.63 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 67' ' ' ALA . 43.5 mt -85.23 93.04 8.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.31 0.576 . . . . 0.0 110.796 176.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.54 -23.84 12.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.517 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.28 -55.52 24.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -93.99 105.89 17.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.212 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.443 ' CG ' ' H ' ' A' ' 146' ' ' HIS . 0.3 OUTLIER -145.52 -87.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.214 176.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 149' ' ' HIS . 99.1 m-70 -82.65 63.38 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 35.5 m80 58.47 -97.73 0.08 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.245 -171.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.06 79.41 1.91 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.364 0.602 . . . . 0.0 109.459 171.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' A' ' 146' ' ' HIS . 9.5 t60 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.664 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.0 t80 73.0 134.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.984 0.803 . . . . 0.0 109.509 -174.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.5 tpt 75.18 -45.96 0.57 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.222 0.609 . . . . 0.0 110.894 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -69.9 -52.4 24.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.774 0.321 . . . . 0.0 110.716 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -62.72 -23.98 34.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 7.4 tt0 -61.46 -49.01 78.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.256 0.551 . . . . 0.0 109.76 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.671 ' OE1' ' HD3' ' A' ' 23' ' ' ARG . 70.4 tt0 -62.75 -33.04 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.39 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.02 82.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.217 0.532 . . . . 0.0 110.583 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -69.25 -29.95 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -39.28 77.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.208 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 23.6 mtm180 -72.7 -10.7 60.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.518 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.29 -38.52 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 173.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 93.6 mttt -92.3 -33.75 14.5 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -99.47 20.62 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.069 0.462 . . . . 0.0 110.665 -177.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 47.9 ttt180 -80.86 -57.75 3.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.648 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 6.0 70.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.429 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.8 p -89.85 -35.67 15.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.032 0.416 . . . . 0.0 111.027 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.49 -2.94 21.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.816 -177.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 14' ' ' MET . 90.1 t -71.19 133.06 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.735 0.302 . . . . 0.0 110.192 177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 31' ' ' ASN . 2.8 p -97.4 111.98 24.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.026 0.441 . . . . 0.0 110.337 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 t -89.49 113.44 25.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 m -109.14 121.95 46.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.892 0.377 . . . . 0.0 111.178 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 8.8 tpt180 -89.38 122.64 32.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.746 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -132.26 92.97 3.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.35 -115.06 6.76 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.175 -175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.43 10.0 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.312 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.4 119.53 34.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.751 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 45.4 mt -98.5 103.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.359 176.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.461 HG12 HG23 ' A' ' 137' ' ' THR . 53.4 mt -100.05 105.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.895 0.379 . . . . 0.0 110.938 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.08 102.55 15.3 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.882 177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB2' ' OG ' ' A' ' 20' ' ' SER . 2.5 m120 -80.75 102.68 10.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 81.7 mtp -108.28 118.15 53.02 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 -175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.7 140.22 26.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.626 2.217 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' PHE . 4.4 p-10 -62.36 -17.08 58.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.822 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -53.07 -40.83 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.428 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.18 22.9 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.495 -175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 49' ' ' GLY . 24.2 m -138.91 -56.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.87 0.367 . . . . 0.0 111.384 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.665 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.9 m-85 -107.6 -161.28 0.77 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.136 0.493 . . . . 0.0 110.466 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -82.73 -159.61 0.34 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.5 m -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 m -144.84 -34.84 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 m -80.19 -102.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -171.45 21.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.732 0.301 . . . . 0.0 111.241 -173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 m -83.72 118.71 24.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.993 0.425 . . . . 0.0 111.013 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.15 124.92 26.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.261 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 46' ' ' LYS . 18.7 ptmt -92.87 154.97 41.94 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.37 -44.12 25.38 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.211 2.608 . . . . 0.0 113.553 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.74 87.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.972 0.415 . . . . 0.0 110.984 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 37' ' ' THR . . . -67.89 -43.1 84.37 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.521 177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.35 -42.37 91.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.951 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.73 -36.57 81.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -66.36 -46.68 75.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 94' ' ' VAL . 11.0 mp -65.23 -30.73 71.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.6 m -62.04 -42.08 98.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 109.864 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.31 96.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.686 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.83 -48.27 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 0.0 109.999 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -56.97 -45.7 82.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.632 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.751 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -58.89 -45.01 91.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.711 0.291 . . . . 0.0 111.506 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' CG1' ' HG3' ' A' ' 6' ' ' GLN . 61.4 t -68.21 -35.54 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.074 0.464 . . . . 0.0 110.218 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG21 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -65.87 -34.11 77.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 178.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.751 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 42.8 mttm -66.17 -37.28 85.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.259 175.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.99 -35.82 56.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.013 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -120.03 85.71 35.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.858 0.361 . . . . 0.0 110.698 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.3 31.77 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.239 2.626 . . . . 0.0 113.466 -175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -108.17 12.21 26.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.156 0.503 . . . . 0.0 109.654 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 p -103.37 139.0 39.35 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.905 -171.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB2' HD23 ' A' ' 141' ' ' LEU . . . -103.67 121.26 42.58 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.754 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 60' ' ' LEU . 23.0 t -88.67 95.93 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.249 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 49.5 m-80 -90.85 90.09 7.76 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.521 ' CG1' HG22 ' A' ' 110' ' ' THR . 2.9 p -93.96 104.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.587 0.708 . . . . 0.0 110.201 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 111' ' ' GLN . 12.0 mm -100.51 101.3 11.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.81 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.11 109.23 3.68 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.299 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.49 -178.84 5.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.105 0.479 . . . . 0.0 110.542 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -154.24 166.82 31.95 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.398 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 132' ' ' ARG . 29.5 t0 -83.23 135.78 34.65 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.4 m -62.19 98.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.392 0.615 . . . . 0.0 111.424 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.2 p -101.78 173.56 6.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.579 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.14 -36.54 45.57 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.772 -176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' HD12 ' A' ' 82' ' ' LEU . . . -69.97 102.65 1.02 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.652 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -56.71 -50.17 72.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.369 0.604 . . . . 0.0 110.401 -176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.67 -40.66 97.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.094 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD12 ' HA3' ' A' ' 79' ' ' GLY . 97.1 mt -59.53 -38.46 81.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.632 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 68.5 m-80 -59.41 -55.7 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.234 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.8 mtp -66.17 -38.77 88.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.414 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 85' ' ' ARG . 21.4 mtp180 -59.6 -50.11 75.16 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.666 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.7 -39.44 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.701 0.286 . . . . 0.0 110.586 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -56.79 -53.93 52.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.84 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -64.75 -41.67 95.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 -178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.22 -42.51 91.17 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.039 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -59.22 -43.38 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.36 71.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.28 -27.03 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.319 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -63.76 -44.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' HB ' HG21 ' A' ' 70' ' ' VAL . 86.1 t -65.61 -45.31 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.149 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.18 -46.38 85.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.208 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.3 m -59.75 -42.68 93.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.94 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.902 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.75 -43.64 68.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 95' ' ' ALA . 82.0 mt -59.85 -39.52 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.7 m -58.98 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.265 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -79.5 -11.6 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.197 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.55 7.36 20.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.105 177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.42 130.63 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.896 0.348 . . . . 0.0 110.181 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.443 ' HB3' ' NE ' ' A' ' 107' ' ' ARG . 7.7 t70 -64.46 138.11 58.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.023 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.09 -31.25 44.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -70.65 -17.41 62.86 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.883 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HB3' ' A' ' 104' ' ' ASP . 17.5 ptp180 -97.0 10.34 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.024 0.44 . . . . 0.0 110.422 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.8 140.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.867 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -134.95 116.27 14.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.521 HG22 ' CG1' ' A' ' 70' ' ' VAL . 70.4 p -101.49 123.25 45.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HB2' HD12 ' A' ' 71' ' ' ILE . 94.4 mt-30 -126.91 113.46 16.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.992 0.425 . . . . 0.0 111.061 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.91 87.73 1.08 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.197 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 88.4 mt -73.68 -19.93 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 111.376 -176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 69.76 -133.55 25.2 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.917 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 83' ' ' ASN . 96.0 Cg_endo -87.39 24.25 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.868 2.379 . . . . 0.0 112.145 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -71.21 -42.77 68.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.749 -175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -120.49 93.3 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.36 130.96 2.03 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.299 2.666 . . . . 0.0 111.828 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -86.88 -24.27 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.53 0.681 . . . . 0.0 109.828 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . . . -133.33 160.58 36.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.998 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.513 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 m -70.02 136.41 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.117 -177.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -84.67 2.48 41.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.523 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.4 t -71.65 -27.93 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.896 0.379 . . . . 0.0 110.206 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -107.39 156.39 18.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.407 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.72 72.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.26 -37.45 85.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 110.597 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -66.21 -48.06 67.42 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.627 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.5 -28.47 68.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.642 0.377 . . . . 0.0 111.115 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.32 -27.42 42.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.47 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.77 -29.12 18.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.573 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -75.95 -20.9 57.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.379 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 75' ' ' ASP . 12.3 ptp180 -82.05 36.12 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.029 0.443 . . . . 0.0 111.038 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -95.79 175.36 6.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.418 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 38' ' ' PHE . 97.4 t -131.88 121.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -114.14 115.1 26.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.07 0.462 . . . . 0.0 111.006 -174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.1 mt -93.22 110.27 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.002 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 29' ' ' ILE . 34.7 m -100.55 107.51 19.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.116 0.484 . . . . 0.0 110.769 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 97.1 mt -84.52 117.41 23.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.048 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.8 m -118.49 162.93 27.99 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.037 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.41 139.87 21.18 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.497 2.131 . . . . 0.0 112.245 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 67' ' ' ALA . 69.8 mt -71.2 93.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 110.914 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 142' ' ' LEU . 2.5 tt -125.51 -34.76 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.135 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.572 ' HB2' ' HD2' ' A' ' 144' ' ' HIS . 27.6 mt-10 -54.11 -36.82 63.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.2 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.572 ' HD2' ' HB2' ' A' ' 143' ' ' GLU . 2.1 p80 -147.09 137.3 23.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.522 -174.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -131.56 106.85 8.46 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.863 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -77.85 -44.14 28.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -103.61 111.28 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.237 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 65.37 103.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.094 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 15.8 p80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 177.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.997 0.427 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER 167.97 123.79 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.025 174.222 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.47 -36.79 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -62.45 -34.73 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.667 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 9.9 p -64.86 -29.49 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.404 177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.51 HE21 HG12 ' A' ' 59' ' ' VAL . 49.4 mt-30 -74.55 -41.48 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.08 -44.94 75.32 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.978 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.58 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.559 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 87.6 mttt -67.35 -38.0 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 111.004 -178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.58 -32.86 73.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.558 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -58.45 -46.69 86.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.895 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -46.85 76.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.66 -50.98 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.291 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mmt -100.36 37.55 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.458 -173.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -58.38 -38.85 78.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.05 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.09 41.86 0.25 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.028 -0.605 . . . . 0.0 111.902 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -92.47 5.16 51.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.187 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.05 -29.35 12.7 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.24 118.49 22.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . 14.9 m -94.31 120.8 35.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -89.21 107.24 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.239 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.6 m -112.99 113.83 26.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.373 0.606 . . . . 0.0 111.15 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -91.25 92.51 8.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.769 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -107.72 133.42 52.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.66 -109.68 2.81 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.72 33.38 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -118.83 148.71 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.197 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 70.2 mt -104.79 106.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.0 116.3 41.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.115 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 6.0 mp -99.16 109.21 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.599 174.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 17.5 m120 -77.35 98.5 5.24 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.833 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . 84.3 mmm -89.71 107.0 16.0 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.232 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' HG22 ' A' ' 36' ' ' VAL . 67.2 Cg_endo -79.21 137.85 13.77 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.32 2.013 . . . . 0.0 112.186 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -58.73 -21.67 55.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.95 -41.47 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.461 -177.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 33' ' ' PRO . 16.6 m -115.82 -18.27 7.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 m -81.87 -46.27 14.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.947 0.403 . . . . 0.0 111.021 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 90' ' ' ARG . 93.2 m-85 -115.14 176.84 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 -177.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.21 -169.03 2.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.1 m -77.98 -2.19 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.848 0.356 . . . . 0.0 111.505 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -157.96 179.12 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.5 p 58.09 -168.63 0.13 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.05 0.94 . . . . 0.0 112.315 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.34 6.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.651 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.3 m -85.02 120.8 26.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -76.15 142.92 41.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.961 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -83.06 155.16 67.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.656 174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.55 -37.98 74.57 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.461 2.107 . . . . 0.0 111.618 174.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.9 -47.1 72.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.26 -42.22 99.36 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.139 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.76 88.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.472 0.177 . . . . 0.0 110.9 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.62 -40.63 88.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.178 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -59.14 -48.26 82.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.562 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.89 -37.31 85.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.728 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 58' ' ' MET . 48.0 m -58.75 -43.69 90.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.96 -43.22 96.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.9 t -63.67 -46.46 94.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.784 0.326 . . . . 0.0 110.555 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.42 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.457 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 54' ' ' THR . 93.8 mtp -64.09 -43.84 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.485 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.51 HG12 HE21 ' A' ' 6' ' ' GLN . 55.7 t -66.08 -33.57 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.042 0.448 . . . . 0.0 110.525 178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 85.8 mt -68.39 -24.41 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.531 176.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -81.53 -35.34 30.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.201 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 58' ' ' MET . 42.8 mt-10 -64.44 -45.28 88.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.273 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -126.11 88.34 54.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.254 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.64 48.87 2.9 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 123.024 2.483 . . . . 0.0 112.507 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 2' ' ' TYR . 31.4 mmtt -120.49 10.83 11.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 p -130.7 139.78 50.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.464 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -99.54 157.65 16.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.98 100.33 10.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.696 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 18.5 m120 -88.09 93.92 9.64 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 110' ' ' THR . 3.0 p -94.4 108.65 20.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.771 0.796 . . . . 0.0 110.654 -176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -105.11 124.37 59.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.366 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.6 99.56 2.51 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.645 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' A' ' 135' ' ' GLU . 46.3 m-85 -94.18 157.66 15.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.135 0.493 . . . . 0.0 110.823 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -166.41 160.11 15.27 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.361 175.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -78.18 172.51 13.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.825 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.9 p -51.02 -32.2 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.149 0.28 . . . . 0.0 111.128 172.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.6 m 49.19 -89.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.756 0.822 . . . . 0.0 112.798 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.63 -121.55 1.58 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.75 124.62 37.2 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.354 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -57.25 -37.28 72.09 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 7.0 m-20 -63.19 -44.25 95.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.824 0.345 . . . . 0.0 110.562 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.74 -39.72 91.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -58.73 -47.81 83.35 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.02 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.11 -45.5 93.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.822 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 83.6 mtt180 -62.75 -47.77 82.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.81 -33.95 77.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.949 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.2 t -59.01 -52.83 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -67.49 -46.82 71.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.58 -33.52 75.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.401 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 30.7 ttm180 -73.95 -39.4 63.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.601 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.34 74.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 109.859 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.79 -42.77 99.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.965 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 p -65.29 -41.48 94.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.52 0.2 . . . . 0.0 111.183 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 134' ' ' VAL . 98.4 t -64.35 -43.91 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -61.8 -51.19 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.8 p -61.84 -32.06 72.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.153 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.58 68.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.221 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.6 -41.83 91.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.647 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 95' ' ' ALA . 77.7 mt -58.27 -31.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.68 178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.1 m -64.42 -31.73 73.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.811 -176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 54' ' ' THR . 24.6 mp0 -79.49 -1.16 36.28 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.992 -0.442 . . . . 0.0 111.245 178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.95 27.97 7.15 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.648 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.67 127.71 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.18 121.76 13.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.83 -3.26 24.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.204 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 m -79.1 -4.04 48.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 110.31 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -112.77 -2.18 14.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -115.6 117.93 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -117.22 128.5 55.15 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.326 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.43 ' HA ' HG13 ' A' ' 70' ' ' VAL . 19.9 p -92.37 133.11 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.931 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -120.74 111.05 17.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.154 0.502 . . . . 0.0 110.705 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.37 97.52 1.83 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.0 mt -105.92 -25.3 12.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.882 0.372 . . . . 0.0 111.012 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 63.78 -137.21 41.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.685 -173.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -86.3 28.54 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 123.491 2.794 . . . . 0.0 112.268 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.31 -57.39 13.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.82 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -130.79 100.25 17.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.531 0.681 . . . . 0.0 110.377 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.48 149.54 44.59 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.01 2.473 . . . . 0.0 111.612 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.531 HD11 ' HG2' ' A' ' 130' ' ' GLN . 34.1 pt -89.02 -19.44 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.095 0.474 . . . . 0.0 110.339 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.27 173.06 12.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.112 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.5 m -65.23 129.84 41.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.84 -17.41 61.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.389 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 t -80.34 -5.45 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.406 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.7 p -111.0 147.98 33.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.133 -0.355 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.465 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.385 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.59 98.93 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.758 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -67.41 -27.31 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.906 0.384 . . . . 0.0 111.379 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.27 -28.81 26.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.816 0.341 . . . . 0.0 110.801 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.531 ' HG2' HD11 ' A' ' 119' ' ' ILE . 5.2 tt0 -85.85 -37.95 18.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.33 -34.34 76.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -73.93 91.77 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 135' ' ' GLU . 11.5 ptp180 -158.71 171.75 19.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.182 0.515 . . . . 0.0 111.454 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.595 HG11 HG21 ' A' ' 94' ' ' VAL . 60.7 t -116.71 117.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.193 173.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.9 mm-40 -94.04 101.56 13.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.877 0.37 . . . . 0.0 110.683 -178.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 51.0 mm -87.88 95.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.348 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 18.1 m -98.3 101.87 13.45 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.339 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 87.5 mt -79.01 120.14 23.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.267 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 p -114.51 146.67 36.41 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.404 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.48 123.85 13.16 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.139 1.893 . . . . 0.0 111.631 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 16.9 mt -65.29 119.88 11.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.931 0.396 . . . . 0.0 110.812 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.53 166.61 3.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.787 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -57.53 98.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.425 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -93.22 -43.43 8.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.422 -177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -163.2 -96.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 164.54 -78.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.714 0.806 . . . . 0.0 108.876 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.87 152.43 50.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.972 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -112.63 -10.45 13.66 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 167.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 69.8 t60 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.958 171.862 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.8 t80 . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 65' ' ' LYS . 23.0 t80 74.44 -60.24 0.53 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.773 0.829 . . . . 0.0 111.255 173.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.6 mmm -61.21 -38.86 88.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.203 0.525 . . . . 0.0 110.009 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.21 -41.62 96.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.65 -174.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 2' ' ' TYR . 8.3 p -72.32 -31.02 37.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 110.397 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 59' ' ' VAL . 32.7 tt0 -69.51 -42.06 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' HB2' HD13 ' A' ' 28' ' ' ILE . 25.0 tt0 -59.46 -46.91 87.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.554 175.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.79 84.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.647 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.62 -37.01 86.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.748 HD13 HD21 ' A' ' 30' ' ' LEU . 81.7 mt -65.83 -44.27 86.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 176.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -64.26 -26.99 68.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.449 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 16.4 t70 -72.73 -31.75 65.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.4 175.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -84.83 -32.21 23.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.481 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.2 mmt -87.41 30.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.523 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.5 mmm180 -39.43 -67.98 0.19 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 124.014 0.821 . . . . 0.0 111.9 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.57 36.02 1.94 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 p -76.56 -31.9 57.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.248 0.547 . . . . 0.0 110.672 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.49 -11.78 25.87 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.378 -176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.407 HG22 ' HG2' ' A' ' 32' ' ' MET . 62.9 t -77.56 119.44 26.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.824 0.345 . . . . 0.0 110.592 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -96.06 109.24 21.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.58 111.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.7 117.36 31.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 7' ' ' GLU . 11.1 tpt180 -84.21 129.06 34.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -147.38 94.56 2.4 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.953 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.74 72.69 0.58 Allowed Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.062 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 72.09 -53.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.474 0.709 . . . . 0.0 110.929 -178.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG22 ' A' ' 137' ' ' THR . 34.6 t-20 -67.5 134.99 52.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.901 -175.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 7' ' ' GLU . 56.2 mt -103.86 114.11 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.926 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.674 HG13 HG23 ' A' ' 137' ' ' THR . 3.7 mp -100.86 112.93 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 0.0 110.455 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.748 HD21 HD13 ' A' ' 10' ' ' LEU . 7.6 mp -91.99 104.83 17.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 175.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.76 99.96 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.365 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.407 ' HG2' HG22 ' A' ' 19' ' ' VAL . 77.0 mtp -100.76 110.22 60.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.546 2.164 . . . . 0.0 111.957 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 38' ' ' PHE . 49.4 t30 -57.16 -40.68 77.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -56.38 -34.18 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.518 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.66 4.5 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.682 0.277 . . . . 0.0 111.702 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 m -119.51 -48.89 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.56 -176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 79.3 m-85 -121.59 -178.75 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.389 0.614 . . . . 0.0 111.532 -176.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 42' ' ' SER . 5.3 p-10 -97.71 -167.04 1.46 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.758 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -65.66 -63.18 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -139.9 81.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.999 0.428 . . . . 0.0 111.068 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . 22.1 t -176.61 -172.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 25.84 10.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.462 0.649 . . . . 0.0 109.646 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.7 m -80.14 120.17 23.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.561 -174.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.32 127.21 33.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.633 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.45 152.52 88.92 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.132 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.74 -45.52 27.73 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.415 2.077 . . . . 0.0 111.914 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.19 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.755 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.36 95.96 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.661 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.48 86.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.184 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -66.39 -34.43 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.6 m -62.17 -49.44 75.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.335 175.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.97 -37.43 79.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.9 m -58.31 -44.63 88.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -67.56 -34.57 84.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.379 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 66.5 t -63.59 -55.05 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' HD22 ' A' ' 98' ' ' LEU . . . -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 tpt -57.78 -54.73 43.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.336 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 6' ' ' GLN . 15.5 t -69.79 -28.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.48 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 79.4 mt -69.43 -29.88 67.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 177.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -82.44 -27.54 31.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.62 -41.48 96.16 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.083 172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -128.16 79.99 73.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.91 41.15 0.91 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 123.131 2.554 . . . . 0.0 113.194 -173.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 73.9 mmtt -110.61 16.23 21.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.116 0.484 . . . . 0.0 110.346 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 p -114.57 144.63 43.07 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.91 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.73 130.5 35.32 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 39.2 t -91.89 96.49 6.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.993 -173.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.554 HD21 ' NH2' ' A' ' 109' ' ' ARG . 5.7 m-20 -92.51 121.03 33.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.46 102.13 13.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 135' ' ' GLU . 56.4 mt -94.2 118.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.215 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.38 127.23 9.14 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.477 -178.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.78 174.51 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.504 HG22 ' HA2' ' A' ' 114' ' ' GLY . 15.2 t -178.27 153.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 176.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -95.81 125.44 40.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 0.0 110.128 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.454 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 42.5 t -174.67 139.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.593 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -115.37 121.72 43.67 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.325 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.13 -67.25 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.897 -0.668 . . . . 0.0 113.952 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.1 90.56 0.11 Allowed Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.446 -0.407 . . . . 0.0 113.557 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -62.07 -30.5 71.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.004 0.431 . . . . 0.0 110.545 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 22.0 t70 -65.53 -50.18 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.445 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.51 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 76' ' ' SER . 96.3 m-20 -54.45 -52.37 62.04 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.576 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mmt -69.72 -44.4 70.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.611 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 60.0 mtt180 -57.78 -49.89 75.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.815 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 2.2 tm? -67.76 -54.25 20.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.059 -174.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.6 p -65.33 -38.23 89.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.676 0.274 . . . . 0.0 111.61 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.413 HE22 ' HB ' ' A' ' 110' ' ' THR . 23.3 tp60 -66.78 -41.98 86.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -69.02 -30.76 69.21 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.182 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' LEU . 12.8 mmt180 -62.61 -49.78 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.93 79.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.81 -40.56 95.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -63.64 -37.84 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.061 177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 92.0 t -66.86 -44.34 89.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -58.36 -57.48 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.075 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.475 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 p -57.62 -35.42 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.3 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.21 -52.86 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.396 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 57' ' ' ALA . 84.2 mt -61.77 -38.18 87.06 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 95' ' ' ALA . 95.2 mt -56.98 -35.88 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.443 177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.4 m -62.04 -35.78 79.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.975 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -81.67 -3.7 54.24 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.447 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.4 7.37 14.18 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.718 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 99' ' ' ILE . 60.9 t -79.29 132.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 117.287 0.543 . . . . 0.0 110.321 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' HB2' ' HE ' ' A' ' 107' ' ' ARG . 3.0 m-20 -63.18 139.07 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.16 69.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.773 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -74.57 -14.51 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 104' ' ' ASP . 15.5 ptp180 -97.07 -0.52 47.03 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.559 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 64.0 mt -101.87 109.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.115 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.554 ' NH2' HD21 ' A' ' 69' ' ' ASN . 31.4 ttp180 -100.56 107.38 19.04 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.413 ' HB ' HE22 ' A' ' 88' ' ' GLN . 27.5 p -93.19 114.53 27.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.451 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -115.19 107.97 15.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.9 0.381 . . . . 0.0 110.233 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.3 102.71 2.81 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 92.4 mt -100.51 -29.12 12.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.735 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 62.15 -119.41 17.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.308 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -92.82 22.46 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.24 2.627 . . . . 0.0 112.467 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -56.31 -47.74 78.08 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.382 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -132.02 86.81 46.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.636 . . . . 0.0 110.715 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HA ' ' OD1' ' A' ' 131' ' ' ASN . 16.0 Cg_exo -68.21 122.64 9.71 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.873 2.382 . . . . 0.0 112.107 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.6 pt -79.97 -1.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.024 0.44 . . . . 0.0 110.681 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -152.34 175.22 12.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.575 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HA3' ' A' ' 127' ' ' GLY . 23.3 t -79.02 135.86 37.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -90.06 7.98 34.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.066 178.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.0 m -84.17 -14.35 50.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 49.9 p -115.75 140.88 48.79 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.952 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 128' ' ' LYS . . . -60.48 -30.02 69.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.858 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.65 -45.66 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.77 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 121' ' ' SER . . . -62.94 -40.23 99.03 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.582 177.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 132' ' ' ARG . 57.3 mtpt -62.4 -41.05 98.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.868 0.366 . . . . 0.0 110.424 175.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.5 99.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.364 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.62 ' O ' ' HD2' ' A' ' 133' ' ' ARG . 47.2 mt-30 -69.27 -41.23 77.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.587 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 118' ' ' PRO . 8.4 t30 -59.26 -31.89 69.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.62 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 70.0 mtm180 -72.79 99.99 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HD2' ' O ' ' A' ' 130' ' ' GLN . 3.7 ptm85 -158.92 168.03 27.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.009 0.433 . . . . 0.0 110.843 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.7 t -125.57 123.24 64.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.832 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 44.7 mt-10 -102.88 110.91 22.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 mt -87.09 107.58 17.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.674 HG23 HG13 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -100.57 107.64 19.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.428 -173.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 81.3 mt -86.7 97.36 10.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.122 0.487 . . . . 0.0 110.795 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -104.07 150.55 38.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.522 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.44 142.19 59.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 111.719 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 1.2 tt -74.2 78.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.519 0.676 . . . . 0.0 110.852 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pp -128.96 7.83 5.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.165 173.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -89.08 23.59 2.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.491 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -69.38 -51.18 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -99.46 121.11 40.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.065 0.46 . . . . 0.0 110.751 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -122.34 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.919 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -120.04 101.7 8.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -150.78 94.74 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.228 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.376 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.2 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.749 0.309 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.42 ' HE1' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t80 -132.82 -75.06 0.5 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.838 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.452 ' SD ' ' HB3' ' A' ' 140' ' ' PRO . 28.0 ttt -84.86 -20.23 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.49 0.662 . . . . 0.0 110.324 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -74.39 -32.06 62.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.68 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 13.3 p -80.58 -22.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.636 HE22 HG21 ' A' ' 66' ' ' THR . 41.5 tt0 -66.15 -51.95 52.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.161 174.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.4 -33.02 73.94 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.304 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.81 94.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 5' ' ' VAL . 96.7 mttt -64.67 -36.16 83.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.825 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.2 mt -71.4 -41.66 69.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.642 178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 27.6 mtp180 -69.26 -13.84 62.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.952 0.406 . . . . 0.0 110.772 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -95.24 -56.94 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.973 0.416 . . . . 0.0 111.187 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -85.64 -27.43 25.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.229 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.542 ' SD ' HG23 ' A' ' 52' ' ' THR . 25.4 tpp -106.65 23.7 13.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.44 0.638 . . . . 0.0 110.175 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 55.7 ttp85 -88.96 -47.64 8.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.137 -175.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 12.62 64.97 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.906 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -77.51 -44.66 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.74 -11.24 3.7 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.49 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.5 t -71.45 129.13 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.751 0.31 . . . . 0.0 110.555 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 17.7 m -88.26 100.8 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 103.19 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.331 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 29' ' ' ILE . 4.9 m -99.74 148.42 24.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.758 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -121.35 128.54 52.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.955 0.407 . . . . 0.0 111.003 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 t -132.36 84.16 2.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.3 0.571 . . . . 0.0 109.986 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.26 -116.31 8.68 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.392 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.18 -10.76 54.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -96.97 131.41 43.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.03 -176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.4 mt -97.7 117.35 42.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 22' ' ' THR . 71.8 mt -106.49 109.05 26.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 111.259 -174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 136' ' ' ILE . 7.2 mp -88.18 96.46 10.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 49.8 t-20 -82.31 100.37 9.9 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.9 mtp -101.17 114.15 65.78 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.592 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.69 136.24 57.01 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.559 2.173 . . . . 0.0 111.355 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -58.21 -30.84 66.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -52.41 -54.26 34.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.455 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 m -100.4 2.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 m -108.75 -45.57 3.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.136 0.494 . . . . 0.0 110.892 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -132.2 -167.75 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.686 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 t70 -79.22 144.53 34.3 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 163.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -57.94 -32.64 68.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.133 0.27 . . . . 0.0 111.652 -172.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.9 m -122.41 17.36 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 111.581 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 5.8 m -132.28 -176.97 4.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 110.968 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.32 19.06 15.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 m -90.54 125.48 35.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.69 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.78 123.36 22.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -89.65 160.19 42.09 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.642 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.5 -46.67 14.23 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.302 2.668 . . . . 0.0 113.43 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.92 67.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.44 94.67 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.496 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.43 -51.49 68.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.601 0.238 . . . . 0.0 110.96 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -64.29 -37.57 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 0.0 110.31 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.542 HG23 ' SD ' ' A' ' 14' ' ' MET . 99.9 m -57.12 -53.57 56.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.686 176.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.04 -31.32 72.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.712 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -60.24 -41.05 92.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.62 -38.22 85.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.039 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 52' ' ' THR . 58.4 t -63.34 -51.02 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 98' ' ' LEU . . . -62.87 -30.5 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.286 -178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 ttm -62.39 -46.09 90.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.985 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.43 -39.3 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.449 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.7 -20.93 65.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.06 -41.15 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 109.663 175.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.11 -37.88 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -112.88 92.38 20.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.991 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.49 18.36 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.195 2.597 . . . . 0.0 113.899 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' HD12 ' A' ' 141' ' ' LEU . 16.8 ptmt -103.31 8.27 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.201 0.524 . . . . 0.0 110.513 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.636 HG21 HE22 ' A' ' 6' ' ' GLN . 14.8 p -97.2 124.53 41.3 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.914 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.11 128.52 36.96 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -102.44 96.49 4.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.011 0.434 . . . . 0.0 110.72 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 137' ' ' THR . 4.0 m-20 -88.96 98.81 11.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.99 103.59 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.032 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mm -99.61 109.4 24.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.142 0.496 . . . . 0.0 110.164 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -80.61 115.84 4.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.449 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.402 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 67.9 m-85 -106.27 149.39 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.366 0.603 . . . . 0.0 111.753 -177.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -144.97 153.65 41.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.828 170.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 115' ' ' PRO . 4.1 p-10 -75.14 -79.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.555 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 5.2 p -178.15 29.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.501 0.32 . . . . 0.0 110.613 -179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 m -74.54 97.92 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 111.594 -173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.61 -121.77 5.71 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.967 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.73 114.61 4.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.754 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -59.91 -29.06 68.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.051 0.453 . . . . 0.0 111.16 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -78.84 -37.94 39.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.039 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.63 -43.25 90.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.041 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.51 90.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.983 176.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.4 ttm -61.6 -53.45 56.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.511 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -68.28 -31.13 70.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.764 0.316 . . . . 0.0 110.977 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.3 tp -64.73 -39.99 94.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.016 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 m -66.88 -36.0 81.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.589 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -52.17 59.97 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.44 -41.15 93.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.351 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -63.62 -45.84 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.98 0.419 . . . . 0.0 110.346 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.06 -34.81 77.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.614 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.62 -37.29 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -42.09 95.79 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 64.4 t -58.9 -53.48 47.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 99' ' ' ILE . . . -57.57 -45.95 84.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.154 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.8 t -60.9 -39.67 90.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.986 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.55 93.32 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.156 0.503 . . . . 0.0 110.462 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 57' ' ' ALA . 54.0 mt -62.72 -49.55 74.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 95' ' ' ALA . 48.9 mt -59.54 -38.32 74.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.719 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.3 m -54.12 -43.71 70.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.199 176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.455 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 85.4 mm-40 -73.52 -43.51 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.012 0.434 . . . . 0.0 110.487 -177.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.51 40.51 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.396 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.3 t -107.24 131.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' HB2' ' HD3' ' A' ' 107' ' ' ARG . 17.2 m-20 -59.48 124.79 21.21 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.74 -25.09 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.3 m -67.29 -25.81 66.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.026 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' A' ' 104' ' ' ASP . 44.3 mtp180 -86.81 -9.12 56.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.977 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.33 123.64 55.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 -174.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.457 ' HG3' ' HG2' ' A' ' 111' ' ' GLN . 16.0 tpp180 -105.05 104.99 14.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.8 m -97.28 104.32 16.33 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.457 ' HG2' ' HG3' ' A' ' 109' ' ' ARG . 16.1 mm100 -115.73 110.22 18.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 111.426 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -90.64 77.99 1.48 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 116' ' ' ALA . 91.0 mt -81.8 -35.37 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.92 -132.49 17.31 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.35 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.507 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 3.1 Cg_exo -77.66 32.54 0.44 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.701 2.934 . . . . 0.0 112.586 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . . . -86.04 -26.44 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -175.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 28.2 t-20 -138.24 96.76 9.89 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -90.02 116.81 0.65 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.099 2.533 . . . . 0.0 111.94 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.492 HG21 ' NH2' ' A' ' 133' ' ' ARG . 14.6 tt -72.72 -30.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.347 0.594 . . . . 0.0 109.759 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -130.34 170.99 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.743 177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.1 p -72.1 132.04 43.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.107 0.479 . . . . 0.0 111.438 -177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -77.27 -2.54 35.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.27 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.5 m -80.77 -15.02 57.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.508 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 72.8 p -110.82 147.59 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.28 77.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.479 . . . . 0.0 110.146 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.13 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.423 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.94 -40.8 34.68 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 124' ' ' THR . 28.8 tttm -56.79 -48.08 78.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.61 -28.98 64.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' HG2' HH21 ' A' ' 133' ' ' ARG . 8.6 tt0 -75.24 -26.64 59.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -77.7 -38.92 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.319 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -72.74 88.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 111.22 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' NH2' HG21 ' A' ' 119' ' ' ILE . 10.6 ptp180 -139.74 173.56 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.71 -177.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.93 102.81 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 168.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -102.13 109.69 21.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.508 . . . . 0.0 111.078 -170.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 70.6 mt -96.52 109.73 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 69' ' ' ASN . 30.3 m -98.37 111.44 23.79 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.593 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.48 107.15 18.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.35 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 8.2 t -99.96 132.67 22.46 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.636 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 139' ' ' SER . 1.2 Cg_endo -84.06 127.31 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.927 2.418 . . . . 0.0 113.286 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 65' ' ' LYS . 72.6 mt -72.99 106.64 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.3 -44.73 6.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.226 -172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.93 -24.97 28.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -75.25 102.06 4.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.151 0.501 . . . . 0.0 110.827 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -116.13 -23.03 8.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.107 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -65.35 117.28 7.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.449 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.8 29.93 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.089 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 73.12 -15.12 0.55 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.421 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.144 -179.656 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.417 ' HA ' ' OD2' ' A' ' 4' ' ' ASP . 21.3 t80 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.02 0.438 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.76 ' HD1' ' HG3' ' A' ' 3' ' ' MET . 7.4 t80 -143.2 -68.54 0.34 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.76 ' HG3' ' HD1' ' A' ' 2' ' ' TYR . 94.1 mtp -111.54 -1.68 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.27 0.557 . . . . 0.0 110.694 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.2 OUTLIER -63.34 -63.33 1.22 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.673 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.61 -15.8 18.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.573 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.63 -36.44 62.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' ASP . 6.6 pt-20 -70.27 -35.88 74.04 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 174.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.85 91.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.232 176.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -60.42 -47.95 83.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.075 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 HD21 ' A' ' 30' ' ' LEU . 87.9 mt -65.97 -41.65 90.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 44.8 ttp180 -67.65 -20.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -88.72 -31.42 18.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.097 0.475 . . . . 0.0 110.477 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -81.28 -46.65 14.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.604 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.86 77.28 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.775 0.798 . . . . 0.0 110.612 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 54.7 ttp180 -91.43 -73.38 0.54 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.589 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.49 28.87 9.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.485 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 p -81.26 -37.58 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.945 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.66 -19.54 3.34 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.99 135.29 27.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 15.1 m -102.64 109.92 21.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 110.617 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -84.41 116.59 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -131.8 140.82 49.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.904 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 28' ' ' ILE . 53.5 mmm-85 -92.58 137.41 32.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.709 0.29 . . . . 0.0 110.486 175.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 p -123.26 91.73 3.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.73 -103.8 1.11 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -174.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.76 -8.05 14.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.248 0.547 . . . . 0.0 110.015 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -85.91 170.05 12.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 138' ' ' LEU . 66.9 mt -125.88 124.05 65.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.848 176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.11 115.44 48.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.214 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.835 HD21 HD13 ' A' ' 10' ' ' LEU . 87.2 mt -94.21 93.67 7.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.581 174.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 25.9 t-20 -77.74 102.28 7.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.723 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.8 mtp -99.02 107.85 46.19 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-O 121.123 0.487 . . . . 0.0 109.841 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 31' ' ' ASN . 31.7 Cg_exo -62.46 137.72 66.52 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.74 2.293 . . . . 0.0 111.517 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -46.5 -37.89 8.5 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.366 0.416 . . . . 0.0 110.829 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -46.25 -41.16 12.58 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.739 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.41 11.31 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -116.99 -50.93 2.57 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.193 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HE2' HG21 ' A' ' 134' ' ' VAL . 92.0 m-85 -123.43 -173.67 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.301 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -83.99 -149.28 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.125 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.9 t -61.98 -42.87 99.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.357 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.7 m -159.49 -20.36 0.07 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -74.98 176.99 6.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.56 69.52 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.331 0.586 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.9 m -131.48 118.51 20.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.392 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.78 132.67 44.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.887 -177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -73.05 147.3 88.17 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.681 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -46.92 17.54 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.798 2.332 . . . . 0.0 112.249 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.63 74.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.34 -48.63 50.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.152 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.57 90.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.708 0.29 . . . . 0.0 110.509 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -62.34 -39.46 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.234 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 m -66.48 -40.11 89.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.67 -38.7 85.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.477 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' MET . 45.9 m -60.35 -38.18 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.4 176.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -64.12 -43.27 97.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.722 176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.85 -47.74 91.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.443 . . . . 0.0 110.197 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.26 -32.67 71.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.786 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' THR . 24.2 mmt -68.44 -40.75 81.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.707 0.289 . . . . 0.0 110.769 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLY . 44.7 t -67.34 -39.43 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.68 -27.79 65.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.261 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -78.04 -32.74 51.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.19 0.519 . . . . 0.0 110.035 176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -74.75 -43.16 56.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.132 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -128.26 89.58 49.54 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.835 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -92.85 38.32 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.227 2.618 . . . . 0.0 113.272 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 mmtp -107.39 15.46 24.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.074 0.464 . . . . 0.0 111.026 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 p -123.68 127.26 47.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.631 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 141' ' ' LEU . . . -73.77 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.144 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' HB ' HG12 ' A' ' 108' ' ' ILE . 46.6 t -102.35 97.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.34 -178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 137' ' ' THR . 44.2 t-20 -96.89 113.41 24.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' HB ' HG22 ' A' ' 110' ' ' THR . 42.7 t -103.39 107.29 21.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.6 mm -103.2 122.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.173 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.43 130.97 10.41 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.034 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.439 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 68.9 m-85 -112.19 121.25 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 0.0 110.782 -178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.438 ' H ' ' HA2' ' A' ' 114' ' ' GLY . 2.3 p -114.94 54.07 0.79 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.103 176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' HB2' ' HG3' ' A' ' 128' ' ' LYS . 5.8 p-10 41.08 -106.91 0.07 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.288 -175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.499 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 69.1 m -158.68 -15.6 0.07 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.35 144.09 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.673 0.273 . . . . 0.0 111.149 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.7 -60.28 0.65 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.267 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 166.61 -168.44 40.12 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -89.27 -81.92 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.839 0.352 . . . . 0.0 110.675 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -67.81 -26.21 65.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.31 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -58.06 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -176.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -79.12 -22.65 44.86 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.671 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.03 -43.59 74.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.285 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -68.3 -38.12 81.32 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.9 tp -61.98 -46.42 89.32 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.193 0.52 . . . . 0.0 109.773 176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -62.59 -39.32 93.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -61.04 -48.21 82.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.635 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.76 -37.21 86.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.354 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 90' ' ' ARG . 21.3 mtp180 -64.32 -43.25 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 177.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.69 -43.77 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.964 0.411 . . . . 0.0 110.325 177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.48 -20.04 62.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.403 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.2 m -67.18 -42.12 84.77 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 134' ' ' VAL . 75.9 t -65.76 -44.24 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.031 175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.42 81.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.948 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 t -53.35 -44.06 68.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.68 -55.43 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.8 mt -56.16 -46.69 79.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.11 -41.27 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.649 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.0 m -69.32 -23.69 63.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -1.01 42.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.87 44.77 2.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.133 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.23 137.22 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.26 134.0 52.68 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.108 -177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.75 -16.65 55.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.949 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.9 m -62.08 -17.55 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.302 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -117.71 15.6 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.724 -178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HB ' ' A' ' 68' ' ' VAL . 67.8 mt -120.59 116.5 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.086 0.47 . . . . 0.0 110.388 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -121.6 120.91 36.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.2 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 70' ' ' VAL . 35.5 p -104.64 129.96 52.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.75 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -135.23 108.43 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.207 0.527 . . . . 0.0 110.913 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.46 74.65 2.49 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 116' ' ' ALA . 87.8 mt -76.6 -33.16 58.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.598 0.237 . . . . 0.0 111.126 -173.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' HA2' ' H ' ' A' ' 74' ' ' THR . . . 73.69 -119.23 6.41 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.335 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 76' ' ' SER . 74.0 Cg_endo -76.87 34.19 0.44 Allowed 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.049 2.5 . . . . 0.0 113.199 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 113' ' ' LEU . . . -85.32 -34.03 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.103 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.439 ' HB3' ' HE1' ' A' ' 73' ' ' TYR . 25.2 t30 -141.77 100.34 6.08 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.259 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HB3' ' ND2' ' A' ' 122' ' ' ASN . 3.3 Cg_exo -76.54 108.28 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.951 2.434 . . . . 0.0 111.484 178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.574 ' CG2' ' HA ' ' A' ' 131' ' ' ASN . 6.3 tt -68.33 -36.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.641 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.22 173.0 10.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.87 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 p -70.91 112.67 7.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.58 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 118' ' ' PRO . 50.7 m-80 -77.21 -5.65 50.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -67.87 -24.71 65.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.371 0.605 . . . . 0.0 109.421 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.7 p -106.58 135.57 47.86 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.763 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.06 -33.71 73.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.008 0.433 . . . . 0.0 110.663 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 23.1 mp0 -67.12 -45.83 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.827 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.83 -36.28 92.92 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.233 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.502 ' HG3' ' HB2' ' A' ' 75' ' ' ASP . 29.5 ttmt -65.88 -36.51 83.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.453 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.62 85.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.439 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 133' ' ' ARG . 8.9 tt0 -72.53 -23.92 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.374 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.574 ' HA ' ' CG2' ' A' ' 119' ' ' ILE . 66.8 t30 -75.76 -5.37 45.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.319 0.581 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 75' ' ' ASP . 58.0 mtp85 -96.84 94.2 7.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -144.04 174.77 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.135 -170.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.592 HG21 ' HE2' ' A' ' 38' ' ' PHE . 64.0 t -134.67 108.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 31' ' ' ASN . 56.1 mt-10 -105.28 123.46 47.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.143 0.497 . . . . 0.0 111.263 -175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 30' ' ' LEU . 3.0 mp -90.85 109.98 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 69' ' ' ASN . 20.3 m -93.88 106.54 18.5 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . 91.3 mt -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.0 m -104.48 121.78 46.02 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.544 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.45 124.42 15.8 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.89 2.393 . . . . 0.0 112.296 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 67' ' ' ALA . 77.2 mt -87.33 125.24 34.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.769 HD23 ' H ' ' A' ' 142' ' ' LEU . 2.5 pt? -102.89 174.13 6.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.569 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.4 94.44 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.472 . . . . 0.0 110.716 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -87.05 102.54 14.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.659 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -88.62 -179.11 5.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.439 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -85.76 91.75 8.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.723 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -107.78 -87.38 0.49 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.211 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 61.93 -73.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.62 0.575 . . . . 0.0 110.885 -174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 24.7 p80 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.534 175.797 . . . . . . . . 0 0 . 1 stop_ save_